Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP030001	trans-Coumaryl acetate	192.21	1.9	1	3	46.53	4
BIMP030002	4-Hydroxy-2,2,6-trimethylcyclohexanone	156.22	1.3	1	2	37.3	0
BIMP030003	25-Hydroxypentacosanoic acid	398.70	9.1	2	3	57.53	24
BIMP030004	Flavone base + 3O, O-AcetylHex	474.40	0	5	11	176.12	6
BIMP030005	Ethanol, 2-thymyloxy-	194.27	3.1	1	2	29.46	4
BIMP030006	2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2R)-	190.15	-3.7	4	6	129.72	5
BIMP030007	1-Linoleoyl-2-a-linolenoyl-3-linoleoyl-glycerol	877.40	19.6	0	6	78.9	49
BIMP030008	TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))	881.40	21	0	6	78.9	51
BIMP030009	24-isopropenyl-22E-dehydrocholesterol	424.70	8.9	1	1	20.23	5
BIMP030010	Docosane, 5-butyl-	366.70	14	0	0	0	22
BIMP030011	Neoisoliquiritin	418.40	1.7	6	9	156.91	6
BIMP030012	LeonlosideD	1237.40	-2.5	16	27	433.05	15
BIMP030013	N-(3-acetamidophenyl)-2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetamide	417.50	3	3	5	125.07	6
BIMP030014	3',4'-Dimethoxyacetophenone	180.20	1.8	0	3	35.53	3
BIMP030015	N-(3-(Aminomethyl)benzyl)acetamidine	177.25	-0.2	2	2	64.4	3
BIMP030016	Riccardin A	438.50	6.8	2	4	58.92	1
BIMP030017	(2R,3R,4S,5S,6R)-2-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	342.34	-0.3	5	8	128.84	6
BIMP030018	N-hexadecanoylsphinga-(4E,8E)-dienine	535.90	11.9	3	3	69.56	29
BIMP030019	N-[(2R,3S,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide	535.90	11.9	3	3	69.56	29
BIMP030020	3,5-Dimethoxybenzoic acid	182.17	2.2	1	4	55.76	3
BIMP030021	3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	610.50	-2.6	12	16	291.43	5
BIMP030022	2,3,4,5,2',3',4',6'-Octamethoxychalcone	448.50	3.5	0	9	90.91	11
BIMP030023	6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone	418.40	3.6	1	9	101.91	8
BIMP030024	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone	432.40	3.3	0	9	90.91	9
BIMP030025	ISOSCUTELLAREIN 8-O-beta-D-GLUCURONIDE	462.40	0.8	7	12	207.35	4

BIMP030001

trans-Coumaryl acetate

192.21

1.9

1

3

46.53

4

BIMP030002

4-Hydroxy-2,2,6-trimethylcyclohexanone

156.22

1.3

1

2

37.3

0

BIMP030003

25-Hydroxypentacosanoic acid

398.70

9.1

2

3

57.53

24

BIMP030004

Flavone base + 3O, O-AcetylHex

474.40

0

5

11

176.12

6

BIMP030005

Ethanol, 2-thymyloxy-

194.27

3.1

1

2

29.46

4

BIMP030006

2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2R)-

190.15

-3.7

4

6

129.72

5

BIMP030007

1-Linoleoyl-2-a-linolenoyl-3-linoleoyl-glycerol

877.40

19.6

0

6

78.9

49

BIMP030008

TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))

881.40

21

0

6

78.9

51

BIMP030009

24-isopropenyl-22E-dehydrocholesterol

424.70

8.9

1

20.23

5

BIMP030010

Docosane, 5-butyl-

366.70

14

0

22

BIMP030011

Neoisoliquiritin

418.40

1.7

6

9

156.91

6

BIMP030012

LeonlosideD

1237.40

-2.5

16

27

433.05

15

BIMP030013

N-(3-acetamidophenyl)-2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetamide

417.50

3

5

125.07

6

BIMP030014

3',4'-Dimethoxyacetophenone

180.20

1.8

0

3

35.53

3

BIMP030015

N-(3-(Aminomethyl)benzyl)acetamidine

177.25

-0.2

2

64.4

3

BIMP030016

Riccardin A

438.50

6.8

2

4

58.92

1

BIMP030017

(2R,3R,4S,5S,6R)-2-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

342.34

-0.3

5

8

128.84

6

BIMP030018

N-hexadecanoylsphinga-(4E,8E)-dienine

535.90

11.9

3

69.56

29

BIMP030019

N-[(2R,3S,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide

535.90

11.9

3

69.56

29

BIMP030020

3,5-Dimethoxybenzoic acid

182.17

2.2

1

4

55.76

3

BIMP030021

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

610.50

-2.6

12

16

291.43

5

BIMP030022

2,3,4,5,2',3',4',6'-Octamethoxychalcone

448.50

3.5

0

9

90.91

11

BIMP030023

6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone

418.40

3.6

1

9

101.91

8

BIMP030024

2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone

432.40

3.3

0

9

90.91

9

BIMP030025

ISOSCUTELLAREIN 8-O-beta-D-GLUCURONIDE

462.40

0.8

7

12

207.35

4