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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,5R,6S,8S,9R,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane
204.35
5.3
0
0
0
0
4-methoxy-1H-indole-3-carbaldehyde
175.18
1.5
1
2
42.09
2
[3,4,5,11,21,22,23-Heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxybenzoate
786.60
1.2
13
22
377.42
6
4-Methylindeno[2,1-b]pyridin-9-one
195.22
2.7
0
2
29.96
0
Sophoracoumestan A
334.30
4
1
5
72.81
0
Tuberosin
338.40
2.5
2
5
68.15
0
5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
454.50
3.8
5
8
140.59
4
1,6-Dihydroxy-7,8-dimethoxyxanthone
288.25
2.7
2
6
89.13
2
(3R,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-3-hydroxyoxolan-2-one
386.40
3
1
7
83.45
6
[(3R,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl] acetate
428.40
3.6
0
8
89.52
8
4-(3-methylbut-2-enyl)-6-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
294.40
5.7
2
2
40.46
5
5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-ol
316.30
2
2
6
77.38
2
Valafolone
400.40
4.5
2
7
102.29
9
(2R,4R)-16-Heptadecyne-1,2,4-triol
284.40
4.3
3
3
60.69
14
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
460.40
0.9
5
10
159.05
5
3-[(4-Hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
348.40
4.7
3
4
69.92
3
1,6-Bis[(4-hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
454.50
6.2
4
5
90.15
5
1-[(4-Hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
346.40
5.2
3
4
69.92
3
Mikanin 3-O-sulfate
424.40
2.6
2
10
150.11
6
Chrysoeriol 7-glucuronide
476.40
1.1
6
12
196.35
5
Chrysoeriol glucuronide
476.40
1.1
6
12
196.35
5
Milliamine H
658.70
4
5
10
171.49
8
Damsin
248.32
2.5
0
3
43.37
0
Milliamine I
661.70
3
6
11
199.92
8
1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
274.27
2.4
4
5
97.99
4
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