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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
(E)-3-methyl-6-(oxetan-3-ylidene)hex-2-enal
166.22
0.9
0
2
26.3
4
5a-Cholesta-7,22-dien-3b-ol
384.60
7.4
1
1
20.23
4
7-Isopent-enyloxycoumarin
230.26
3.4
0
3
39.44
3
2,4,5-Trihydroxy-3-(4,6,7-trihydroxy-3-oxo-1,3-dihydroisobenzofuran-5-yl)-benzoic acid methyl ester
364.26
1.8
6
10
173.98
3
2-Acetoxy-4,5-dimethoxycinnamic acid
266.25
1.6
1
6
82.06
6
[(2R)-1-hydroxy-5-methyl-2-prop-1-en-2-ylhex-4-enyl] acetate
212.28
3.1
1
3
46.53
6
Cedranediol
238.37
3.5
2
2
40.46
0
7-Geranyl-oxy-6-methoxycoumarin
342.40
4.9
0
5
65.74
7
3,4',5,7-Tetrahydroxy-3-methoxyflavone
318.28
1.6
4
7
116.45
2
Terephthalic acid mono-[2-(4-carboxy-phenoxycarbonyl)-vinyl] ester
356.30
2.4
2
8
127.2
8
(e)-Hex-4-en-2-ynylbenzol
156.22
3.6
0
0
0
1
9-Hentriacontanone
450.80
14.6
0
1
17.07
28
(z,z)-Geranyl linalool
290.50
6.4
1
1
20.23
9
Feruloyl-caffeoyl spermidine
483.60
2.3
5
8
145.35
13
Caffeoyl-l-malic acid
296.23
-0.2
5
8
152.36
6
Heptadecylresorcinol
348.60
10.1
2
2
40.46
16
2'-Hydroxy-3,4,5,3',4',6'-hexamethoxychalcone
404.40
3.7
1
8
92.68
9
9-Hydroxytridecyl docosanoate
538.90
14.9
1
3
46.53
33
Stigmast-5-ene-3beta,4alpha-diol
430.70
8.2
2
2
40.46
6
Stigmasta-7,22-dien-3beta,4beta-diol
428.70
7.3
2
2
40.46
5
5-Methoxymethyl-1-[2-(4-hydroxyphenyl)-ethyl]-1h-pyrrole-2-carbaldehyde
259.30
1.7
1
3
51.46
6
Kaempferol-3,4'-o-dimethylether
330.29
1.5
4
7
120.36
3
(s)-2-pentanol-2-O-beta-d-glucopyranoside
250.29
-0.5
4
6
99.38
5
p-Coumaroyl-d-threonine
265.26
0.6
4
5
106.86
5
4-Methoxy-3-heptadecylxanthone
464.70
11.9
0
3
39.44
17
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