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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
(r)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-methoxyethyl]acrylamide
343.40
2.3
3
5
88.02
7
3,4,5,6-Tetrahydro-2-oxo-2h-1,6-benzoxazocine-8-carboxylic acid
221.21
1.2
2
5
75.63
1
5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyloxy)-4H-chromen-4-one
290.31
3.6
1
5
68.9
4
[3-Hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] acetate
346.30
1.8
1
7
99.11
6
28-Norbrassinolide
466.60
4.4
4
6
107.22
5
Irisresorcinol
346.50
9.2
2
2
40.46
15
3-[(E)-heptadec-10-enyl]phenol
330.50
9.6
1
1
20.23
15
Methyl 2-hydroxy-6-tridecylbenzoate
334.50
8.7
1
3
46.53
14
3-[3,4-Dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
610.50
-0.7
10
16
269.43
6
4-Butylpyridine
135.21
2.6
0
1
12.89
3
Hispidulin 4'-sulfate
380.30
1.1
3
9
151.88
4
6-Methoxyluteolin 7-sulfate
396.30
1.7
4
10
172.11
4
6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate
410.40
2
3
10
161.11
5
6-Hydroxyluteolin 7-sulfate
382.30
1.4
5
10
183.11
3
6-Hydroxyluteolin 6-sulfate
382.30
1.4
5
10
183.11
3
6-Hydroxyluteolin 3'-methyl ether 7-sulfate
396.30
1.7
4
10
172.11
4
6-Hydroxyluteolin 6,7-disulfate
462.40
0.8
5
13
234.86
5
6-Hydroxyluteolin 3'-methyl ether 6,7-disulfate
476.40
1.1
4
13
223.86
6
6-Methoxyluteolin 3',4'-disulfate
476.40
1.1
4
13
223.86
6
6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate
490.40
1.4
3
13
212.86
7
Hispidulin 7,4'-disulfate
460.40
1.4
3
12
203.63
6
[6-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
490.40
0.5
6
12
196.35
6
5,4'-Dihydroxy-7,3'-dimethoxyisoflavone
314.29
3
2
6
89.13
3
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
356.40
4
4
6
107.22
3
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
356.40
4
4
6
107.22
3
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