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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
(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide
197.19
-0.9
4
4
103.78
3
(2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one
158.19
0.2
2
3
57.53
2
Taxamairin A
338.40
3.4
1
4
63.6
2
Taxamairin B
352.40
3.8
0
4
52.6
3
3-[(1R)-1,2-dihydroxyethyl]-4-methylpyrrole-2,5-dione
171.15
-1.3
3
4
86.63
2
Panaxydol chlorohydrin
296.80
4.8
2
2
40.46
10
Darienine
271.27
2
1
5
68.65
2
2-Acetyl-5-methylpyridine
135.16
1.2
0
2
29.96
1
2-Ethyl-3-methylnaphthalene
170.25
4.8
0
0
0
1
Eumaitenine
506.50
2.9
0
10
127.57
9
5,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
348.40
0.2
3
6
104.06
1
Gibberellin A60
348.40
0.2
3
6
104.06
1
23-O-Acetyl shengmanol xyloside
662.80
4.2
4
10
155.28
8
[1-[10,11-Dihydroxy-4,6,12,17,17-pentamethyl-18-(3,4,5-trihydroxyoxan-2-yl)oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]-2-hydroxy-2-methylpropyl] acetate
680.90
3.3
6
11
175.37
6
Teuflin
328.40
2.3
0
5
65.74
1
5,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
346.40
0.1
3
6
104.06
1
2H-Cyclohepta(b)furan-2-one, 6-(1-(acetyloxy)-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-
308.40
1.8
1
5
72.83
5
alpha-Methylene-gamma-lactone, 3
308.40
1.8
1
5
72.83
5
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
456.70
7.3
2
3
57.53
1
(4S)-1,1-dioxodithiolan-4-ol
154.21
-0.8
1
4
88.05
0
Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
682.70
-0.9
6
16
245.04
8
erythro-1-(4-Hydroxyphenyl)propane-1,2,3-triol
184.19
-0.6
4
4
80.92
3
(1S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-ol
170.25
0.6
2
2
40.46
1
(4R,6R)-3,4,6-trihydroxy-2-methylcyclohex-2-en-1-one
158.15
-1
3
4
77.76
0
[(1S,5S,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
152.23
1.6
1
1
20.23
1
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