Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP025901	(4S)-3,5,5-trimethyl-4-[(3R)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one	372.50	0.3	4	7	116.45	6
BIMP025902	(6E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one	236.35	3.4	1	2	37.3	7
BIMP025903	Zeylanine	302.32	2.2	0	5	65.74	2
BIMP025904	(1R,14R,15R,16R)-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol	317.40	0.6	1	5	51.16	3
BIMP025905	Lathyrol diacetate benzoate	522.60	5.6	0	7	95.97	7
BIMP025906	5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	432.40	0.2	7	10	181.05	3
BIMP025907	[(2S,3R,4S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	478.40	0.6	7	11	186.37	9
BIMP025908	(3R,3'Z,5'aS,6'R,7'aR)-3'-butylidene-6'-propylspiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione	380.50	4.5	0	4	52.6	4
BIMP025909	(1R,4E,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione	337.40	1.9	1	6	76.07	0
BIMP025910	(3aS,4R,9aR,9bS)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione	276.28	-0.7	2	5	83.83	1
BIMP025911	(1S,2S,6R,7S,10R,11R)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-6-ol	345.50	3.1	2	3	43.7	2
BIMP025912	4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-b-D-galactopyranosyl]oxy]-	616.50	1.5	10	16	277.27	7
BIMP025913	Methyl 2-methylbutyrate	116.16	1.5	0	2	26.3	3
BIMP025914	3-Sulfanyl-4-methylpentan-1-ol	134.24	1.6	2	2	59.03	3
BIMP025915	3-Hydroxymandelic acid, (-)-	168.15	-0.1	3	4	77.76	2
BIMP025916	3-Hydroxymandelic acid, (+)-	168.15	-0.1	3	4	77.76	2
BIMP025917	Ethyl alpha-D-fructofuranoside	208.21	-1.2	4	6	99.38	4
BIMP025918	Orientin,Lutexin	448.40	-0.2	8	11	201.28	3
BIMP025919	(4aS,6aS,6aS,6bS,8aS,10R,12aS,14bS)-10-hydroxy-2,2,4a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid	456.70	7.7	2	3	57.53	1
BIMP025920	4-[(3S)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol	424.50	6.4	3	5	79.15	6
BIMP025921	2-[(2S,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid	234.33	4.3	1	2	37.3	2
BIMP025922	(1S,4aS,7aS)-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid	374.34	-2.7	6	10	166.14	5
BIMP025923	5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	578.50	-0.8	8	14	228.97	6
BIMP025924	CID 133612300	454.50	5	4	7	116.45	7
BIMP025925	(2S,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one	454.50	5	4	7	116.45	7

BIMP025901

(4S)-3,5,5-trimethyl-4-[(3R)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

372.50

0.3

4

7

116.45

6

BIMP025902

(6E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one

236.35

3.4

1

2

37.3

7

BIMP025903

Zeylanine

302.32

2.2

0

5

65.74

2

BIMP025904

(1R,14R,15R,16R)-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol

317.40

0.6

1

5

51.16

3

BIMP025905

Lathyrol diacetate benzoate

522.60

5.6

0

7

95.97

7

BIMP025906

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

432.40

0.2

7

10

181.05

3

BIMP025907

[(2S,3R,4S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

478.40

0.6

7

11

186.37

9

BIMP025908

(3R,3'Z,5'aS,6'R,7'aR)-3'-butylidene-6'-propylspiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione

380.50

4.5

0

4

52.6

4

BIMP025909

(1R,4E,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

337.40

1.9

1

6

76.07

0

BIMP025910

(3aS,4R,9aR,9bS)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione

276.28

-0.7

2

5

83.83

1

BIMP025911

(1S,2S,6R,7S,10R,11R)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-6-ol

345.50

3.1

2

3

43.7

2

BIMP025912

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-b-D-galactopyranosyl]oxy]-

616.50

1.5

10

16

277.27

7

BIMP025913

Methyl 2-methylbutyrate

116.16

1.5

0

2

26.3

3

BIMP025914

3-Sulfanyl-4-methylpentan-1-ol

134.24

1.6

2

59.03

3

BIMP025915

3-Hydroxymandelic acid, (-)-

168.15

-0.1

3

4

77.76

2

BIMP025916

3-Hydroxymandelic acid, (+)-

168.15

-0.1

3

4

77.76

2

BIMP025917

Ethyl alpha-D-fructofuranoside

208.21

-1.2

4

6

99.38

4

BIMP025918

Orientin,Lutexin

448.40

-0.2

8

11

201.28

3

BIMP025919

(4aS,6aS,6aS,6bS,8aS,10R,12aS,14bS)-10-hydroxy-2,2,4a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid

456.70

7.7

2

3

57.53

1

BIMP025920

4-[(3S)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

424.50

6.4

3

5

79.15

6

BIMP025921

2-[(2S,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

234.33

4.3

1

2

37.3

2

BIMP025922

(1S,4aS,7aS)-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

374.34

-2.7

6

10

166.14

5

BIMP025923

5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

578.50

-0.8

8

14

228.97

6

BIMP025924

CID 133612300

454.50

5

4

7

116.45

7

BIMP025925

(2S,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one

454.50

5

4

7

116.45

7