Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP021051	(1S,2S,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one	264.36	0.6	1	3	43.78	0
BIMP021052	(1R,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one	264.36	0.6	1	3	43.78	0
BIMP021053	Hydroxysugiresinol	302.32	1.8	4	5	90.15	2
BIMP021054	(+)-Echinatine	299.36	-0.4	3	6	90.23	6
BIMP021055	(2R,3S)-2-hydroxy-3-(1H-indol-3-yl)butanoic acid	219.24	1.6	3	3	73.32	3
BIMP021056	Isochlorogensaure	354.31	-0.4	6	9	164.75	5
BIMP021057	Chlorogensaure	354.31	-0.4	6	9	164.75	5
BIMP021058	(1S,2S,5S,8S)-2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol	234.33	2.2	1	2	29.46	0
BIMP021059	(6S,6aS,9aR,9bR)-3,6,9a-trimethyl-5,6,6a,7,8,9b-hexahydro-4H-azuleno[8,7-b]furan-2,9-dione	248.32	2	0	3	43.37	0
BIMP021060	Isoderricin A	322.40	4.8	0	3	35.53	4
BIMP021061	Isoedultin	386.40	3.1	0	7	92.04	6
BIMP021062	Rhababerone	270.24	3.3	3	5	94.83	0
BIMP021063	Isoeugenitin	220.22	2.5	1	4	59.67	1
BIMP021064	1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one	152.23	2	0	1	17.07	0
BIMP021065	Fern-8-ene	410.70	10.2	0	0	0	1
BIMP021066	Isohemipinsaure	226.18	0.9	2	6	93.06	4
BIMP021067	Ent-isokaurene	272.50	6.9	0	0	0	0
BIMP021068	Ziza-5-en-12-ol	220.35	3.1	1	1	20.23	1
BIMP021069	(6S,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol	360.40	2	4	6	99.38	5
BIMP021070	Isolaureline	309.40	3.3	0	4	30.93	1
BIMP021071	Norlobelanine	321.40	3.4	1	3	46.17	6
BIMP021072	(-)-Isolonchocarpin	306.40	3.8	0	3	35.53	1
BIMP021073	Isolongifolol	222.37	4.4	1	1	20.23	1
BIMP021074	Myricetin 3-beta-D-glucopyranoside	480.40	0	9	13	230.74	4
BIMP021075	(4aR,7R,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one	166.22	1.9	0	2	26.3	0

BIMP021051

(1S,2S,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

264.36

0.6

1

3

43.78

0

BIMP021052

(1R,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

264.36

0.6

1

3

43.78

0

BIMP021053

Hydroxysugiresinol

302.32

1.8

4

5

90.15

2

BIMP021054

(+)-Echinatine

299.36

-0.4

3

6

90.23

6

BIMP021055

(2R,3S)-2-hydroxy-3-(1H-indol-3-yl)butanoic acid

219.24

1.6

3

73.32

3

BIMP021056

Isochlorogensaure

354.31

-0.4

6

9

164.75

5

BIMP021057

Chlorogensaure

354.31

-0.4

6

9

164.75

5

BIMP021058

(1S,2S,5S,8S)-2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

234.33

2.2

1

2

29.46

0

BIMP021059

(6S,6aS,9aR,9bR)-3,6,9a-trimethyl-5,6,6a,7,8,9b-hexahydro-4H-azuleno[8,7-b]furan-2,9-dione

248.32

2

0

3

43.37

0

BIMP021060

Isoderricin A

322.40

4.8

0

3

35.53

4

BIMP021061

Isoedultin

386.40

3.1

0

7

92.04

6

BIMP021062

Rhababerone

270.24

3.3

3

5

94.83

0

BIMP021063

Isoeugenitin

220.22

2.5

1

4

59.67

1

BIMP021064

1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one

152.23

2

0

1

17.07

0

BIMP021065

Fern-8-ene

410.70

10.2

0

1

BIMP021066

Isohemipinsaure

226.18

0.9

2

6

93.06

4

BIMP021067

Ent-isokaurene

272.50

6.9

0

BIMP021068

Ziza-5-en-12-ol

220.35

3.1

1

20.23

1

BIMP021069

(6S,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol

360.40

2

4

6

99.38

5

BIMP021070

Isolaureline

309.40

3.3

0

4

30.93

1

BIMP021071

Norlobelanine

321.40

3.4

1

3

46.17

6

BIMP021072

(-)-Isolonchocarpin

306.40

3.8

0

3

35.53

1

BIMP021073

Isolongifolol

222.37

4.4

1

20.23

1

BIMP021074

Myricetin 3-beta-D-glucopyranoside

480.40

0

9

13

230.74

4

BIMP021075

(4aR,7R,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one

166.22

1.9

0

2

26.3

0