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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
Cycloclausenamide
279.30
2.5
0
2
29.54
2
2-Cyclohexen-1-one
96.13
0.6
0
1
17.07
0
4-[2-[(1-Carboxy-4-hydroxybutyl)amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
326.30
-0.4
5
9
156.52
8
(1S,2S,4S,6R,7S,10S,11R)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-12-en-6-ol
299.40
2.8
1
2
32.59
0
ethyl (2R)-2-hydroxy-2-methylbutanoate
146.18
0.9
1
3
46.53
4
2,3,4-Trihydroxyphenazine-1-carboxylic acid
272.21
1.6
4
7
123.77
1
N-Methylpyridinium
94.13
1.5
0
0
3.88
0
16-Hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one
291.26
3
1
5
68.65
0
6-Methoxybenzofuran-5-carboxylic acid
192.17
1.8
1
4
59.67
2
[(1S,2S,5S,7R,8S)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-en-7-yl] acetate
386.40
1.1
1
6
89.9
2
3-Diazo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
178.23
1.9
0
2
53.47
0
Dicaffeoyl quinic acid
516.40
1.5
7
12
211.28
9
3,5-Di-caffeoylquinic acid
516.40
1.5
7
12
211.28
9
3,4,6-trihydroxy-5-oxo-1-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulene-8-carboxylic acid
428.30
1.9
7
10
184.98
2
Agarotetrol
318.32
-0.8
4
6
111.13
3
2-[(1S,7S,9R,16R,18R,19R)-1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),3,6(11),13-tetraen-9-yl]acetic acid
446.40
-0.1
5
10
170.82
2
[[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
523.18
-5.7
8
16
328.53
8
Luteolin-7-o-glucuronide
462.40
0.8
7
12
207.35
4
Bicyclo[2.2.2]oct-2-ene
108.18
2.9
0
0
0
0
6-Hydroxyharman
200.24
1.7
2
2
48.38
0
1-Cyclooctene
110.20
3.5
0
0
0
0
3-Ethoxybutan-2-one
116.16
0.6
0
2
26.3
3
1-Acetyl-1-cyclohexene
124.18
1.9
0
1
17.07
1
Bicyclo[6.1.0]nonane
124.22
4.1
0
0
0
0
Cyclooctadecane
252.50
10
0
0
0
0
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