Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP019351	Piscidinol A	474.70	5.4	3	4	77.76	5
BIMP019352	Quercetin 3-glucuronide	478.40	0.6	8	13	227.58	4
BIMP019353	3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	446.40	0.6	5	10	159.05	5
BIMP019354	Kamebanin	334.40	2	3	4	77.76	0
BIMP019355	CID 12004581	388.40	-2.3	5	10	155.14	6
BIMP019356	(1S,2R,10S,14S,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one	340.40	2.6	0	5	57.9	1
BIMP019357	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid	460.40	1.4	5	11	176.12	5
BIMP019358	1-Methyluracil	126.11	-1.2	1	2	54.86	0
BIMP019359	[(1aR,3aS,4S,5S,6R,7aR,7bS)-4-formyl-4-[2-(furan-3-yl)ethyl]-5,7a,7b-trimethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-6-yl] acetate	374.50	3.1	0	5	69.04	6
BIMP019360	1alpha,2alpha-Epoxynimolicinol	498.60	3.1	1	8	115.57	3
BIMP019361	7-Deacetylnimolicinol	440.50	3.3	2	6	96.97	1
BIMP019362	(1R,2R,6R,7R)-2-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-7-methyl-3-methylidene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one	330.40	3	1	4	59.67	3
BIMP019363	(4R,4aR,8R,8aR)-4-[2-(furan-3-yl)ethyl]-8-(hydroxymethyl)-8-methyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol	304.40	2.8	2	3	53.6	4
BIMP019364	[(1R,4aR,5R,8aR)-5-[2-(furan-3-yl)ethyl]-4a-(hydroxymethyl)-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol	318.40	3.6	2	3	53.6	5
BIMP019365	(1R,2R,6S,7R)-2-[2-(furan-3-yl)-2-oxoethyl]-7-methyl-3-methylidene-9-oxatricyclo[5.3.3.01,6]tridecan-8-one	328.40	3.1	0	4	56.51	3
BIMP019366	Hydroxyectoine	158.16	-1.2	3	4	81.92	1
BIMP019367	5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	448.40	0.7	7	11	190.28	4
BIMP019368	(3R,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,8-hexahydronaphthalene	202.33	5.1	0	0	0	1
BIMP019369	(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol	220.35	3.6	1	1	20.23	1
BIMP019370	Citraconic anhydride	112.08	0.2	0	3	43.37	0
BIMP019371	(1S,4S,6S,8E,12S)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene	236.35	3.2	0	2	25.06	0
BIMP019372	Borneol, (-)-	154.25	2.7	1	1	20.23	0
BIMP019373	(1S,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene	204.35	4.4	0	0	0	0
BIMP019374	(-)-Longifolene	204.35	5.1	0	0	0	0
BIMP019375	(+)-Fenchone	152.23	2.3	0	1	17.07	0

BIMP019351

Piscidinol A

474.70

5.4

3

4

77.76

5

BIMP019352

Quercetin 3-glucuronide

478.40

0.6

8

13

227.58

4

BIMP019353

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

446.40

0.6

5

10

159.05

5

BIMP019354

Kamebanin

334.40

2

3

4

77.76

0

BIMP019355

CID 12004581

388.40

-2.3

5

10

155.14

6

BIMP019356

(1S,2R,10S,14S,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one

340.40

2.6

0

5

57.9

1

BIMP019357

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

460.40

1.4

5

11

176.12

5

BIMP019358

1-Methyluracil

126.11

-1.2

1

2

54.86

0

BIMP019359

[(1aR,3aS,4S,5S,6R,7aR,7bS)-4-formyl-4-[2-(furan-3-yl)ethyl]-5,7a,7b-trimethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-6-yl] acetate

374.50

3.1

0

5

69.04

6

BIMP019360

1alpha,2alpha-Epoxynimolicinol

498.60

3.1

1

8

115.57

3

BIMP019361

7-Deacetylnimolicinol

440.50

3.3

2

6

96.97

1

BIMP019362

(1R,2R,6R,7R)-2-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-7-methyl-3-methylidene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one

330.40

3

1

4

59.67

3

BIMP019363

(4R,4aR,8R,8aR)-4-[2-(furan-3-yl)ethyl]-8-(hydroxymethyl)-8-methyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol

304.40

2.8

2

3

53.6

4

BIMP019364

[(1R,4aR,5R,8aR)-5-[2-(furan-3-yl)ethyl]-4a-(hydroxymethyl)-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol

318.40

3.6

2

3

53.6

5

BIMP019365

(1R,2R,6S,7R)-2-[2-(furan-3-yl)-2-oxoethyl]-7-methyl-3-methylidene-9-oxatricyclo[5.3.3.01,6]tridecan-8-one

328.40

3.1

0

4

56.51

3

BIMP019366

Hydroxyectoine

158.16

-1.2

3

4

81.92

1

BIMP019367

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

448.40

0.7

7

11

190.28

4

BIMP019368

(3R,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,8-hexahydronaphthalene

202.33

5.1

0

1

BIMP019369

(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol

220.35

3.6

1

20.23

1

BIMP019370

Citraconic anhydride

112.08

0.2

0

3

43.37

0

BIMP019371

(1S,4S,6S,8E,12S)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene

236.35

3.2

0

2

25.06

0

BIMP019372

Borneol, (-)-

154.25

2.7

1

20.23

0

BIMP019373

(1S,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

204.35

4.4

0

BIMP019374

(-)-Longifolene

204.35

5.1

0

BIMP019375

(+)-Fenchone

152.23

2.3

0

1

17.07

0