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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
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol
546.50
3.1
8
10
180.3
3
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol
546.50
3.1
8
10
180.3
3
(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol
546.50
3.1
8
10
180.3
3
(2R,3S)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
546.50
3.1
8
10
180.3
3
peperomin B
430.40
3.8
0
8
81.68
7
(3S,4S)-4-[(S)-(7-methoxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
430.40
3.8
0
8
81.68
7
(2R,3R)-lespedezaflavanone C
424.50
5.7
4
6
107.22
5
Euchrestaflavanone B
424.50
5.9
4
6
107.22
5
(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
438.50
6.2
3
6
96.22
6
Yukovanol
354.40
3.1
3
6
96.22
1
Citrunobin
352.40
4.4
2
5
75.99
4
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
572.60
1.4
6
12
196.35
9
Regaloside H
400.40
-1.1
6
10
166.14
9
3,5,7-Trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8-(2-methylbut-3-en-2-yl)chromen-4-one
506.60
7.4
4
7
120.36
5
Broussoflavonol D
504.60
7.3
4
7
120.36
5
2,5-epoxy-megastigma-6(Z),8(E)-diene
192.30
2.9
0
1
9.23
1
Ponganone VII
314.30
3.3
0
5
53.99
6
6-O-Acetylarbutin
314.29
-0.7
4
8
125.68
5
Dalpalatin
358.30
2.8
2
8
107.59
3
2,3-Dihydroxypropyl tetracosanoate
442.70
10.7
2
4
66.76
26
3-[(2S,3R)-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl acetate
486.50
3.3
0
9
106.59
13
(3S,3aS,8aR)-3-hydroxy-3-methyl-8-methylidene-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one
234.33
2.3
1
2
37.3
0
Neoprocurcumenol
234.33
1.8
1
2
37.3
0
[(2Z)-2-[(1S,6E,10S)-6,10-dimethyl-4-oxo-11-oxabicyclo[8.1.0]undec-6-en-3-ylidene]propyl] acetate
292.40
2.1
0
4
55.9
3
3-Methyl-4-(3-oxobutyl)-7-propan-2-ylidenecyclohept-2-en-1-one
234.33
2.6
0
2
34.14
3
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