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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
(1R,3aR,5aR,5bR,7R,7aR,11aR,11bR,13aR,13bR)-7-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
440.70
8.2
1
2
37.3
1
3,5,6,7,8,3',4'-Heptamethphoxyflavone
432.40
3.2
0
9
94.82
8
2,4-Dihydroxy-6-(2-oxopropyl)benzoic acid
210.18
0.9
3
5
94.83
3
Phe-arg
321.37
-3.7
5
5
156.82
9
Methyl 1-methoxy-1h-indole-3-acetate
219.24
2.2
0
3
40.46
4
2-Methylhexacosane
380.70
14.6
0
0
0
23
gamma-Cadinene
204.35
4.3
0
0
0
1
[(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]phosphonic acid
301.19
-4.5
6
9
183.43
8
3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene
204.35
3.9
0
0
0
0
11-Hydroxytetradecanoic acid
244.37
4.1
2
3
57.53
12
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
458.40
0.7
4
10
155.89
6
methyl (2R)-2-hydroxy-8-(2-octylcyclopropen-1-yl)octanoate
324.50
6.1
1
3
46.53
16
(4R,5S)-4,5-dihydroxy-3-methylcyclopent-2-en-1-one
128.13
-1.2
2
3
57.53
0
Isotachioside
302.28
-1.4
5
8
128.84
4
2,9,9-Trimethyl-5-methylene-6,7,8,9-tetrahydro-5H-benzo[7]annulene
200.32
4.9
0
0
0
0
2,3,6-Trimethylpyridine
121.18
2
0
1
12.89
0
4-Amino-L-Phenylalanine
180.20
-2.2
3
4
89.34
3
Galactonolactone
178.14
-2.6
4
6
107.22
0
2-Phenylethyl hexadecanoate
360.60
9.4
0
2
26.3
18
Altisin
358.30
3.3
1
7
87.36
5
5,6,2'-Trihydroxy-7,8-dimethoxyflavone
330.29
2.6
3
7
109.36
3
(2s)-5-Hydroxy-7,8,2',6'-tetramethoxyflavanone
360.40
3
1
7
83.45
5
4-O-Methylglucuronic acid
208.17
-2
4
7
124.29
6
2-Hydroxy-1,4-benzoquinone
124.09
0.2
1
3
54.37
0
5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone
346.30
2.3
4
8
129.59
3
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