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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
4',7-Dihydroxy-6-methoxyflavone
284.26
3.2
2
5
79.9
2
Methyl (8z,11z,14z)-8,11,14-hexadecatrienoate
264.40
5.2
0
2
26.3
12
4-Geranyloxy-5-methyl coumarin
312.40
5.3
0
3
39.44
6
3-Methyl-3-buten-1-OL
86.13
1.3
1
1
20.23
2
3-Hydroxy-1-(4'-hydroxy-3',5'-dimethoxyphenyl)-tetradecan-6-en-5-one
378.50
5.1
2
5
75.99
14
[(2S)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate
194.27
2.1
0
2
26.3
2
Hyoscyamal
317.40
1.6
1
5
66.84
6
2-(4'-Hydroxy-3'-methoxyphenyl)-2-oxoacetamide
195.17
0.7
2
4
89.62
3
3,6-Anhydro-2-deoxy-beta-d-arabino-hexofuranose
146.14
-1.2
2
4
58.92
0
(25s)-5alpha-spirostan-3beta-ol 3-O-beta-d-glucopyranoside
578.80
4.9
4
8
117.84
3
3-alpha-l-Rhamnofuranosyloxy-5,7,4'-trihydroxyflavone
432.40
1.8
6
10
170.05
4
4-O-(6'-O-p-hydroxybenzoyl-beta-d-glucopyranosyl)-cis-p-coumaric acid
446.40
1.4
5
10
162.98
8
3,3'-Methylenebis(4,6-dihydroxycoumarin)
368.30
1.9
4
8
141.34
2
N-(octacosanoyl)-4R-hydroxyhexadecasphinganine
696.20
17.6
4
4
89.79
41
3,3'-Dihydroxy-5-methoxy-2,4,6-tri(4-hydroxybenzyl)bibenzyl
562.60
8.1
5
6
110.38
10
1-Cyclohexyl-11-heneicosanone
392.70
11.9
0
1
17.07
20
2-(2'-Hydroxy-5'-methoxyphenyl)propane-1,3-diol
198.22
0.2
3
4
69.92
4
3,5-Dimethyl-7-carboxybenzofuran
190.19
2.6
1
3
50.44
1
5-Acetyl-3-methyl-7-carboxybenzofuran
218.20
1.9
1
4
67.51
2
3-Hydroxy-1-(4'-hydroxy-3'-methoxyphenyl)-octadeca-1,3-dien-5-one
402.60
8.5
2
4
66.76
16
5,7-Dihydroxy-2-n-pentacosanylchromen-4-one
528.80
13.5
2
4
70.67
24
6-(2,4,5Trimethoxyphenyl)furo[3,2-g]chromen-7-one
352.30
3.9
0
6
71.04
4
5-Isopropenyl-3-methyl-7-carboxybenzofuran
216.23
3.6
1
3
50.44
2
9,19-Cyclolanostan-3-one
426.70
9.9
0
1
17.07
5
(22s)-5alpha-Ergostane-3alpha,22-diol
418.70
8.3
2
2
40.46
5
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