Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP034251	Zuclomiphene	406.00	7.2	0	2	12.47	9
BIMP034252	2,5-Dihydroxy-1-methoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one	326.30	4.2	2	5	79.9	3
BIMP034253	(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2S-(2alpha,6aalpha,12aalpha))-	394.40	4.1	0	6	63.22	3
BIMP034254	Silibinin B	482.40	2.4	5	10	155.14	4
BIMP034255	6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one	283.24	-3	5	7	159.51	2
BIMP034256	Jasmone	164.24	2.2	0	1	17.07	3
BIMP034257	(E)-jasmone	164.24	2.2	0	1	17.07	3
BIMP034258	[(9S,10S)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate	386.40	3.1	0	7	92.04	5
BIMP034259	Neryl acetate	196.29	3.5	0	2	26.3	6
BIMP034260	Geranyl acetate	196.29	3.5	0	2	26.3	6
BIMP034261	(1S,4E,6S,7S,11R,17S)-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
BIMP034262	(1S,4E,6S,7R,17S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione	351.40	0.6	2	7	96.3	1
BIMP034263	Anethole, (Z)-	148.20	3.3	0	1	9.23	2
BIMP034264	cis-Isoeugenol	164.20	2.6	1	2	29.46	2
BIMP034265	alpha-Isosafrole	162.18	3.1	0	2	18.46	1
BIMP034266	Isoeugenyl methyl ether	178.23	2.5	0	2	18.46	3
BIMP034267	Epiisopodophyllotoxin	414.40	2	1	8	92.68	4
BIMP034268	4,5-Dihydroxybenzene-1,3-disulfonate	268.20	-0.9	2	8	171.62	0
BIMP034269	cis-Sinapic acid	224.21	1.5	2	5	75.99	4
BIMP034270	cis-Coniferyl alcohol	180.20	1.4	2	3	49.69	3
BIMP034271	Coniferyl Alcohol	180.20	1.4	2	3	49.69	3
BIMP034272	L-Cysteinesulfinic acid	153.16	-4.2	3	6	119.83	3
BIMP034273	(2S,6S)-2,6-diaminoheptanedioate	190.20	-4.6	2	4	135.54	4
BIMP034274	cis-Urocanic acid	138.12	0	2	3	65.98	2
BIMP034275	cis-p-Coumaric acid	164.16	1.5	2	3	57.53	2

BIMP034251

Zuclomiphene

406.00

7.2

0

2

12.47

9

BIMP034252

2,5-Dihydroxy-1-methoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one

326.30

4.2

2

5

79.9

3

BIMP034253

(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2S-(2alpha,6aalpha,12aalpha))-

394.40

4.1

0

6

63.22

3

BIMP034254

Silibinin B

482.40

2.4

5

10

155.14

4

BIMP034255

6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one

283.24

-3

5

7

159.51

2

BIMP034256

Jasmone

164.24

2.2

0

1

17.07

3

BIMP034257

(E)-jasmone

164.24

2.2

0

1

17.07

3

BIMP034258

[(9S,10S)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate

386.40

3.1

0

7

92.04

5

BIMP034259

Neryl acetate

196.29

3.5

0

2

26.3

6

BIMP034260

Geranyl acetate

196.29

3.5

0

2

26.3

6

BIMP034261

(1S,4E,6S,7S,11R,17S)-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

BIMP034262

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

351.40

0.6

2

7

96.3

1

BIMP034263

Anethole, (Z)-

148.20

3.3

0

1

9.23

2

BIMP034264

cis-Isoeugenol

164.20

2.6

1

2

29.46

2

BIMP034265

alpha-Isosafrole

162.18

3.1

0

2

18.46

1

BIMP034266

Isoeugenyl methyl ether

178.23

2.5

0

2

18.46

3

BIMP034267

Epiisopodophyllotoxin

414.40

2

1

8

92.68

4

BIMP034268

4,5-Dihydroxybenzene-1,3-disulfonate

268.20

-0.9

2

8

171.62

0

BIMP034269

cis-Sinapic acid

224.21

1.5

2

5

75.99

4

BIMP034270

cis-Coniferyl alcohol

180.20

1.4

2

3

49.69

3

BIMP034271

Coniferyl Alcohol

180.20

1.4

2

3

49.69

3

BIMP034272

L-Cysteinesulfinic acid

153.16

-4.2

3

6

119.83

3

BIMP034273

(2S,6S)-2,6-diaminoheptanedioate

190.20

-4.6

2

4

135.54

4

BIMP034274

cis-Urocanic acid

138.12

0

2

3

65.98

2

BIMP034275

cis-p-Coumaric acid

164.16

1.5

2

3

57.53

2