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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
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
204.35
6.1
0
0
0
3
(1S,3R,4R)-3-(hydroxymethyl)-1-oxodithiolan-4-ol
168.20
-1
2
5
102.04
1
6-Methoxy-7-methyl-8-oxoguanine
195.18
-0.7
2
5
98.82
1
(1R,2S,5R,6R,7R,8S)-1,5-dimethyl-8-prop-1-en-2-yltricyclo[5.3.0.02,6]decane
204.35
5.5
0
0
0
1
Eremopetasinorone A
206.28
1.8
0
2
34.14
1
3,4-Dihydroxyphenyllactic acid methyl ester
212.20
0
3
5
86.99
4
(E)-2-methyl-4-[(2-tritio-7H-purin-6-yl)amino]but-2-en-1-ol
221.25
0.7
3
5
86.72
4
(4aR,5R,9aR)-1,1,4a,8-Tetramethyl-2,3,4,4a,5,6,7,9a-octahydro-1H-benzo[7]annulen-5-ol
222.37
3.9
1
1
20.23
0
4-[(1S,3S,5R,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-one
226.31
0.9
1
3
46.53
3
(E)-3-[(1R,4R,6S)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]prop-2-enoic acid
228.28
1.1
3
4
77.76
2
9-Hydroxy-7-oxofuro[3,2-g]chromene-4-carbaldehyde
230.17
1.4
1
5
80.65
1
Ethanone, 1-(1-hydroxy-8-methoxy-3-methyl-2-naphthalenyl)-
230.26
3.4
1
3
46.53
2
alpha-Bisabolol
222.37
3.8
1
1
20.23
4
Benzyl 2,6-dihydroxybenzoate
244.24
3.1
2
4
66.76
4
5-Undecylbenzene-1,3-diol
264.40
6.9
2
2
40.46
10
3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1-methylquinolin-2-one
273.33
1.6
1
3
51.46
3
(1R,2R,5S,9S,10S,11S)-2-hydroxy-2,11-dimethyl-6-methylidene-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-7-one
278.30
0.9
1
5
64.99
0
dihydrobuddledin A
278.40
3.7
0
3
43.37
2
Flakinin A
280.32
1.4
1
5
72.83
1
4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
129.11
-1.1
2
4
69.89
1
[(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl] 4-hydroxybenzoate
308.33
-0.6
4
6
107.22
7
1,3,6-Trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
312.30
4.4
3
5
90.9
2
Nlcamzutwgfusw-uhfffaoysa-
314.29
2.8
0
6
63.22
3
(1S,2S)-2-Hydroxy-1-(4-methoxyphenyl)propyl 4-methoxybenzoate
316.30
3
1
5
64.99
7
7-Hydroxy-3,4',8-trimethoxyflavone
328.30
2.9
1
6
78.13
4
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