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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
8-Nitro-cGMP
390.20
-3.2
4
11
227.76
1
2-Amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-1,5,6,7-tetrahydropteridin-4-one
257.25
-3.7
6
6
152.56
2
5,7-Octadien-2-ol, 2,6-dimethyl-, (Z)-
154.25
2.9
1
1
20.23
4
(S)-(+)-6-Methyl-1-octanol
144.25
3.2
1
1
20.23
6
5-Methyltetrahydrofolate
459.50
-0.5
7
10
202.77
9
[(2R,3S,4R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
363.22
-3.5
6
10
215.85
4
(2R)-4-butyl-2-methyl-2H-furan-5-one
154.21
2.5
0
2
26.3
3
1-Acetylbisindigotin
532.50
4.5
1
5
94.96
2
4-[2-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
390.30
0.8
6
10
176.75
7
4-[2-(1-carboxy-4-hydroxybutyl)iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
326.30
-0.4
5
9
156.52
8
4-[2-(1-carboxy-3-methylsulfinylpropyl)iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
358.37
-0.9
4
10
172.57
8
4-[2-[2-(4-hydroxyphenyl)ethylimino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
330.33
1.4
4
7
119.22
6
4-[2-[2-(3,4-dihydroxyphenyl)ethylimino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
346.30
1
5
8
139.45
6
4-[2-[1-carboxy-2-(4-hydroxyphenyl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
374.30
1.2
5
9
156.52
7
4-[2-(4-amino-1-carboxy-4-oxobutyl)iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
339.30
-1.2
5
9
179.38
8
4-[2-(1,3-dicarboxypropylimino)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
340.28
-0.5
5
10
173.59
8
N,N-Dimethylguanosine
311.29
-1.3
4
7
136.73
3
Bikoeniquinone A
420.50
1.6
2
5
74.41
1
Ancistroheynine B
391.50
4.5
2
5
71.28
3
Atrazine-desethyl-2-hydroxy
169.19
-0.6
3
1
96.69
2
(NZ)-4-methyl-N-[5-[(5-methylfuran-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
364.40
3.3
1
6
122.42
4
GDP-d-mannuronate
616.30
-5.5
7
19
376.9
8
Methyl (10S)-hydroxypheophorbide a
622.70
2.3
3
10
142.17
8
6-Acetyl-2,3,5,7,8-pentahydroxynaphthalene-1,4-dione
280.19
1.4
5
8
152.36
1
6,7-Dihydroxy-2-methoxy-1,4-phenanthrenedione
270.24
2.2
2
5
83.83
1
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