Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP026676	4-Acetylcyclohexene-1-carboxylic acid	168.19	0.7	1	3	54.37	2
BIMP026677	methyl 2-[(3R,4S)-4,11-dihydroxy-3-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-4-yl]acetate	333.30	1.5	2	7	98.11	4
BIMP026678	1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylic acid	580.40	3	9	14	251.74	5
BIMP026679	2,6-Dimethyl-2,6-octadiene-1,8-diol, (E,Z)-	170.25	1.6	2	2	40.46	5
BIMP026680	1-Ethyl-2,3-dimethylbenzene	134.22	3.9	0	0	0	1
BIMP026681	1-Propene, 3,3,3-trifluoro-2-methyl-	110.08	2.6	0	3	0	0
BIMP026682	(E,2R)-2-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7-hydroxy-6-methylhept-5-enoic acid	241.29	-0.7	4	4	107.94	6
BIMP026683	3-Methoxycatechol	140.14	0.8	2	3	49.69	1
BIMP026684	5-(Hydroxyamino)-2H-pyrrol-2-one	112.09	0.4	2	3	65.45	0
BIMP026685	4-Isopropyl-2-(isoxazol-5-YL)phenol	203.24	2.8	1	3	46.26	2
BIMP026686	8-Hydroxy-3,6,9-trimethylbenzo[de]quinolin-7-one	239.27	2.6	1	3	50.19	0
BIMP026687	2(3H)-Benzothiazolone	151.19	1.8	1	2	61.1	0
BIMP026688	Diaminomethylidene(3-methylbut-2-enyl)azanium;hydrogen sulfate	225.27		4	4	151.82	2
BIMP026689	1-Ethyl-3,5-dimethylbenzene	134.22	3.4	0	0	0	1
BIMP026690	4-Ethyl-1,2-dimethylbenzene	134.22	3.4	0	0	0	1
BIMP026691	(2Z,4E)-5-[(1S,4R)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid	266.33	1.7	3	4	77.76	3
BIMP026692	1,2,3-Trimethylcyclopentene	110.20	2.1	0	0	0	0
BIMP026693	4-Methylene-2,5-cyclohexadiene-1-one	106.12	1.2	0	1	17.07	0
BIMP026694	3,24-Dihydroxy-12-oleanen-22-one	456.70	6.6	2	3	57.53	1
BIMP026695	Soyasapogenol E	456.70	6.6	2	3	57.53	1
BIMP026696	Soyasapogenol B 3-O-b-D-glucuronide	634.80	5.1	6	9	156.91	4
BIMP026697	soyasapogenol B 3-O-beta-glucuronide	634.80	5.1	6	9	156.91	4
BIMP026698	Eucarvone	150.22	2.6	0	1	17.07	0
BIMP026699	(4R)-2-(3-hydroxypyridin-2-yl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid	238.27	0.9	2	6	108.08	2
BIMP026700	1,1'-Methylenedi(phenazin-2(10H)-one)	404.40	4.6	2	6	92.02	2

BIMP026676

4-Acetylcyclohexene-1-carboxylic acid

168.19

0.7

1

3

54.37

2

BIMP026677

methyl 2-[(3R,4S)-4,11-dihydroxy-3-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-4-yl]acetate

333.30

1.5

2

7

98.11

4

BIMP026678

1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylic acid

580.40

3

9

14

251.74

5

BIMP026679

2,6-Dimethyl-2,6-octadiene-1,8-diol, (E,Z)-

170.25

1.6

2

40.46

5

BIMP026680

1-Ethyl-2,3-dimethylbenzene

134.22

3.9

0

1

BIMP026681

1-Propene, 3,3,3-trifluoro-2-methyl-

110.08

2.6

0

3

0

BIMP026682

(E,2R)-2-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7-hydroxy-6-methylhept-5-enoic acid

241.29

-0.7

4

107.94

6

BIMP026683

3-Methoxycatechol

140.14

0.8

2

3

49.69

1

BIMP026684

5-(Hydroxyamino)-2H-pyrrol-2-one

112.09

0.4

2

3

65.45

0

BIMP026685

4-Isopropyl-2-(isoxazol-5-YL)phenol

203.24

2.8

1

3

46.26

2

BIMP026686

8-Hydroxy-3,6,9-trimethylbenzo[de]quinolin-7-one

239.27

2.6

1

3

50.19

0

BIMP026687

2(3H)-Benzothiazolone

151.19

1.8

1

2

61.1

0

BIMP026688

Diaminomethylidene(3-methylbut-2-enyl)azanium;hydrogen sulfate

225.27

4

151.82

2

BIMP026689

1-Ethyl-3,5-dimethylbenzene

134.22

3.4

0

1

BIMP026690

4-Ethyl-1,2-dimethylbenzene

134.22

3.4

0

1

BIMP026691

(2Z,4E)-5-[(1S,4R)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

266.33

1.7

3

4

77.76

3

BIMP026692

1,2,3-Trimethylcyclopentene

110.20

2.1

0

BIMP026693

4-Methylene-2,5-cyclohexadiene-1-one

106.12

1.2

0

1

17.07

0

BIMP026694

3,24-Dihydroxy-12-oleanen-22-one

456.70

6.6

2

3

57.53

1

BIMP026695

Soyasapogenol E

456.70

6.6

2

3

57.53

1

BIMP026696

Soyasapogenol B 3-O-b-D-glucuronide

634.80

5.1

6

9

156.91

4

BIMP026697

soyasapogenol B 3-O-beta-glucuronide

634.80

5.1

6

9

156.91

4

BIMP026698

Eucarvone

150.22

2.6

0

1

17.07

0

BIMP026699

(4R)-2-(3-hydroxypyridin-2-yl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid

238.27

0.9

2

6

108.08

2

BIMP026700

1,1'-Methylenedi(phenazin-2(10H)-one)

404.40

4.6

2

6

92.02

2