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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
D(+)-Glucose
180.16
-2.9
5
6
118.22
5
2-(1H-indol-2-ylmethyl)-1H-indole
246.31
4.2
2
0
31.58
2
4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
250.25
1
3
5
94.83
1
Methyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
446.70
9.8
0
2
26.3
10
Virol B
262.40
4.3
2
2
40.46
10
(1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
264.32
1.1
1
4
59.06
1
(1R,10R,12R,14R)-7-methoxy-14-methyl-13-oxatetracyclo[8.5.0.01,12.03,8]pentadeca-3(8),4,6-triene-2,9-dione
272.29
1.6
0
4
52.6
1
3,2'-Dihydroxy-4,5-dimethoxybibenzyl
274.31
3.4
2
4
58.92
5
Methylrubilactone
284.26
3
0
5
65.74
3
(S)-5-((S)-1-Hydroxytridecyl)dihydrofuran-2(3H)-one
284.40
5.8
1
3
46.53
12
3-(3,4-Dimethoxyphenyl)-2-propenal
192.21
1.4
0
3
35.53
4
(Z)-2,7,13,13,14,15,15-heptadeuteriooctadec-9-enoic acid
289.50
6.5
1
2
37.3
15
l-Piperitone
152.23
2.2
0
1
17.07
1
10-hydroxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
293.30
3.4
2
3
62.32
1
Phencomycin methyl ester
296.28
2.3
0
6
78.38
4
(Z)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-3-enoic acid
304.50
5.9
1
2
37.3
4
[(1R,2R,5S,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate
306.40
1.6
0
4
49.85
2
7-Phenyldodeca-2,4,8,10-tetrayn-6-ylbenzene
306.40
6.1
0
0
0
5
2-Hydroxy-1,7,8-trimethoxypyrene
308.30
4.6
1
4
47.92
3
(6aR,12aR)-9,12a-dihydroxy-3-methoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
314.29
1.7
2
6
85.22
1
(2E,6R)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyocta-2,7-dienoic acid
316.35
-0.1
4
7
116.45
7
Mandelonitrile
133.15
1
1
2
44.02
1
Strychnilactone
324.40
0.8
2
6
93.06
4
[(1R,2R,5R,6R)-2,5,6-trihydroxy-2-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-5-methylcyclohexyl] acetate
330.40
0.7
4
6
107.22
6
(3R,4aS,6aS,10aR,10bS)-3-[(1R)-1,2-dihydroxyethyl]-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
338.50
2.2
2
4
66.76
2
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