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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
1-O-[(1R,11S,12S,13R,15S)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-methylpentyl)butanedioate
545.60
3
1
10
112.99
11
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
561.60
0.3
3
11
144.22
11
5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside
562.60
1.7
6
12
188.51
9
Calyxin H
566.60
7.1
5
7
127.45
12
(1S,2R,4R,5Z,12R,13S,16Z)-25-[(1R)-8-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
568.80
4.5
4
5
74.76
1
glycitein 7-O-beta-D-(2'',4'',6''-O-triacetyl)glucopyranoside
572.50
1.8
2
13
177.26
11
6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
578.50
-0.7
9
14
239.97
4
(2S)-7-hydroxy-8-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
582.60
5.8
5
8
136.68
10
Deguelin
394.40
3.7
0
6
63.22
2
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
588.90
9.9
2
4
66.76
5
gamma-Fagarine
229.23
2.9
0
4
44.49
2
(2S)-2-Methyl-4-[(2R,10R,13R)-2,10,13-trihydroxy-13-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
596.90
8.8
4
7
116.45
26
Lycopsamine
299.36
-0.4
3
6
90.23
6
5-[(2R,3S,3aR,9bR)-2-[(1R)-1,2-dihydroxyethyl]-3,7,8,9-tetrahydroxy-5-oxo-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-6-yl]-6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
614.40
-0.5
10
17
298.25
3
24-Methylenecycloartanol, cis-ferulate
616.90
12.6
1
4
55.76
10
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,11,16-triacetyloxy-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
630.70
0.8
3
12
175.12
10
Gambogenic Acid
630.80
7.9
3
8
130.36
10
(2R)-2-[(1R)-1-[(3R,8R,9S,10R,13R,17S)-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
632.70
0.7
6
11
183.21
6
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-3-phenylprop-2-enoate
646.80
4.7
1
9
113.66
8
(4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
648.80
3.2
7
10
177.14
5
Cryptophycin 54
655.20
6.2
2
8
132.56
8
Cryptophycin 26
657.20
6
3
8
140.26
10
[(1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8,8a,10-tetraacetyloxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate
658.70
3.4
2
12
171.96
11
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,5,11,16-tetraacetyloxy-8-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
672.70
1.4
2
13
181.19
12
1,9-Dideoxyforskolin
378.50
3.3
1
5
72.83
3
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