Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP019726	11beta,13-Dihydrolactucin 15-oxalate	350.30	-0.1	2	8	127.2	4
BIMP019727	11beta,13-Dihydro-8-deoxylactucin 15-oxalate	334.30	0.9	1	7	106.97	4
BIMP019728	11beta,13-Dihydrolactucopicrin 15-oxalate	484.50	1.7	2	10	153.5	8
BIMP019729	(5R,7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol	149.19	0.7	1	2	33.12	0
BIMP019730	6-Hydroxybenzofuran-5-carbimidic acid	177.16	1.4	2	3	76.46	1
BIMP019731	(2S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol	290.27	1.3	5	6	110.38	1
BIMP019732	(-)-Phaseolin	324.40	3.6	1	4	47.92	0
BIMP019733	2-Azelaoyl-sn-glycero-3-phosphocholine	427.40	0	2	9	152.23	18
BIMP019734	pentahomomethionine S-oxide	235.35	-1.7	2	5	99.6	9
BIMP019735	hexahomomethionine S-oxide	249.37	-1.2	2	5	99.6	10
BIMP019736	1-Cyano-8-(methylsulfinyl)heptane	187.30	1.2	0	3	60.07	7
BIMP019737	7-(Methylsulfinyl)heptylamine	177.31	0.4	1	3	62.3	7
BIMP019738	9-(Methylsulfinyl)nonanoic acid	220.33	1.5	1	4	73.58	9
BIMP019739	9-(Methylsulfinyl)nonamide	219.35	0.9	1	3	79.37	9
BIMP019740	8-(Methylsulfinyl)octylamine	191.34	0.9	1	3	62.3	8
BIMP019741	5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid	425.30	-0.9	6	11	195.84	8
BIMP019742	12-Sulfooxy-9,10-dihydrojasmonic acid	308.35	0.4	2	7	126.35	9
BIMP019743	11-Sulfooxy-9,10-dihydrojasmonic acid	308.35	0.3	2	7	126.35	8
BIMP019744	Guaiacylglycerol beta-scopoletinyl ether	388.40	1.7	3	8	118.59	7
BIMP019745	(2E)-3-[4-({1,3-dihydroxy-1-[3-methoxy-4-(sulfooxy)phenyl]propan-2-yl}oxy)-3-methoxyphenyl]prop-2-enoic acid	470.40	1.1	4	11	177.43	11
BIMP019746	(2E)-3-(4-{[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid	470.40	1.3	4	11	177.43	11
BIMP019747	Glycosmisic acid 4'-sulfate	452.40	1.5	3	10	157.2	8
BIMP019748	Glycosmisic acid sulfate	452.40	1.7	3	10	157.2	8
BIMP019749	1-Azelaoyl-sn-glycero-3-phosphocholine	427.40	0	2	9	152.23	18
BIMP019750	Silyhermin B	466.40	2.6	5	9	145.91	4

BIMP019726

11beta,13-Dihydrolactucin 15-oxalate

350.30

-0.1

2

8

127.2

4

BIMP019727

11beta,13-Dihydro-8-deoxylactucin 15-oxalate

334.30

0.9

1

7

106.97

4

BIMP019728

11beta,13-Dihydrolactucopicrin 15-oxalate

484.50

1.7

2

10

153.5

8

BIMP019729

(5R,7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol

149.19

0.7

1

2

33.12

0

BIMP019730

6-Hydroxybenzofuran-5-carbimidic acid

177.16

1.4

2

3

76.46

1

BIMP019731

(2S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol

290.27

1.3

5

6

110.38

1

BIMP019732

(-)-Phaseolin

324.40

3.6

1

4

47.92

0

BIMP019733

2-Azelaoyl-sn-glycero-3-phosphocholine

427.40

0

2

9

152.23

18

BIMP019734

pentahomomethionine S-oxide

235.35

-1.7

2

5

99.6

9

BIMP019735

hexahomomethionine S-oxide

249.37

-1.2

2

5

99.6

10

BIMP019736

1-Cyano-8-(methylsulfinyl)heptane

187.30

1.2

0

3

60.07

7

BIMP019737

7-(Methylsulfinyl)heptylamine

177.31

0.4

1

3

62.3

7

BIMP019738

9-(Methylsulfinyl)nonanoic acid

220.33

1.5

1

4

73.58

9

BIMP019739

9-(Methylsulfinyl)nonamide

219.35

0.9

1

3

79.37

9

BIMP019740

8-(Methylsulfinyl)octylamine

191.34

0.9

1

3

62.3

8

BIMP019741

5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid

425.30

-0.9

6

11

195.84

8

BIMP019742

12-Sulfooxy-9,10-dihydrojasmonic acid

308.35

0.4

2

7

126.35

9

BIMP019743

11-Sulfooxy-9,10-dihydrojasmonic acid

308.35

0.3

2

7

126.35

8

BIMP019744

Guaiacylglycerol beta-scopoletinyl ether

388.40

1.7

3

8

118.59

7

BIMP019745

(2E)-3-[4-({1,3-dihydroxy-1-[3-methoxy-4-(sulfooxy)phenyl]propan-2-yl}oxy)-3-methoxyphenyl]prop-2-enoic acid

470.40

1.1

4

11

177.43

11

BIMP019746

(2E)-3-(4-{[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid

470.40

1.3

4

11

177.43

11

BIMP019747

Glycosmisic acid 4'-sulfate

452.40

1.5

3

10

157.2

8

BIMP019748

Glycosmisic acid sulfate

452.40

1.7

3

10

157.2

8

BIMP019749

1-Azelaoyl-sn-glycero-3-phosphocholine

427.40

0

2

9

152.23

18

BIMP019750

Silyhermin B

466.40

2.6

5

9

145.91

4