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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
(5R,9S,10R,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
440.70
7.6
1
2
37.3
5
Convalloside
712.80
-2.3
8
15
242.13
7
3,4,8-trihydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6H-chromeno[4,3-b]chromen-7-one
476.40
0.1
7
12
199.51
3
(2S,3R,4S,5S,6R)-2-[4-[(1S,2R)-1,3-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
482.50
-1.2
7
11
178.53
9
Gymconopin C
482.50
5.9
4
6
99.38
3
7-Phenylhept-2-en-4,6-diyn-1-ol
182.22
2.5
1
1
20.23
3
(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dimethoxyphenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
534.70
8.7
1
6
74.22
11
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R)-3,5,5-trimethyl-4-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
536.60
-1.4
8
12
198.76
9
gamma-Terpineol
154.25
2.1
1
1
20.23
0
Dihydromorelloflavone
558.50
4.2
7
11
194.21
3
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
646.80
5.3
4
9
142.75
6
(3R)-8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one
178.18
2.4
1
3
46.53
0
Episilvestrol
654.70
1.6
4
13
171.83
11
p-Menth-3-en-1-ol
154.25
2
1
1
20.23
1
(20S)-Protopanaxatriol
476.70
5.9
4
4
80.92
4
3,4-Dihydroxy-3-methyloxolan-2-one
132.11
-1.2
2
4
66.76
0
(3Z)-4-Phenyl-3-buten-2-ol
148.20
2.1
1
1
20.23
2
Karahanaenol
154.25
2.2
1
1
20.23
0
Hydroxy-oxo-prop-2-enoxy-sulfanylidene-lambda6-sulfane
154.21
1.5
1
4
87
3
5-butyl-2-chloro-1H-imidazole-4-carbaldehyde
186.64
2.5
1
2
45.75
4
(Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone
192.24
2.5
0
3
54.54
1
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate, (1R)-
196.29
2.4
0
2
26.3
3
6,7-Dimethoxychroman-4-one
208.21
1.3
0
4
44.76
2
3,5-Dimethoxybiphenyl
214.26
3.5
0
2
18.46
3
4-Acetylbenzoic acid
164.16
1.6
1
3
54.37
2
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