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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-[(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-methylpentyl)butanedioate
545.60
1.8
2
10
123.99
11
Aristophyll A
566.70
5.6
2
6
109.96
8
Justicidinoside B
572.50
1.8
4
13
171.83
7
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] 3-(4-hydroxyphenyl)propanoate
574.90
11.3
1
3
46.53
5
Gardnerilin B
582.90
10.1
4
6
107.22
29
(3S,5R)-5-[(6R,11R)-6,11-dihydroxy-11-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
596.90
8.1
3
7
113.29
26
Ethyl beta-carboline-3-carboxylate
240.26
2.9
1
3
54.98
3
Gardnerilin A
614.90
7.6
6
8
147.68
29
(2R)-4-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(Z,1S,4S,5S)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
622.90
9.1
4
7
116.45
27
Cryptophycin 28
625.10
6.7
2
7
120.03
8
[(1S,14S)-21-hydroxy-20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-yl] acetate
636.70
5.8
1
9
89.93
4
Purpurenin
638.90
7.4
4
8
125.68
25
Cryptophycin 21
641.10
5.6
2
8
132.56
8
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate
648.80
2.7
7
10
177.14
5
Coagulin L
650.80
-0.4
7
12
203.44
5
(2S)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-[(E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
684.60
-1.2
11
18
302.82
13
(4R,12R,13S,14S,16S,18R)-4,12,14-tris(4-hydroxyphenyl)-16-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,15-trioxatetracyclo[8.8.0.02,7.013,18]octadeca-1,7,9-trien-6-one
686.70
6.9
4
9
134.91
7
Capsoside A
694.80
2.2
7
15
231.13
25
beta-N-Methylamino-L-alanine
118.13
-3.8
3
4
75.35
3
[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1S,2S,3'S,4S,4'S,6S,7S,8R,9S,12S,13R,14R,16R)-3',4',16-trihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
780.90
-0.1
7
15
223.29
6
[(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate
781.10
12.1
4
10
151.98
38
Nostocyclopeptide A2
790.90
1.3
8
10
261.72
10
(3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
824.00
1.9
9
14
244.93
7
2'',3''-Dihydrocephalomannine; N-Debenzoyl-N-a-methylbutyrylpaclitaxel
833.90
2.2
4
14
221.29
15
Nepalensinol F
906.90
9.1
10
12
220.76
5
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