BIMP Logo
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,3R,6S,8R,11R,12S,13R,15S,16R,17S)-6,13,17-trihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
504.70
3.5
4
6
107.22
2
(2S,3R,4S,5R)-2-[[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17S)-13,14,17-trihydroxy-16-(hydroxymethyl)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
654.80
1.2
8
11
189.53
5
(2S,3R,4S,5R)-2-[[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17R)-13,14,17-trihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
638.80
1.9
7
10
169.3
4
[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17R)-13-acetyloxy-6,17-dihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
590.80
4.6
3
8
122.52
6
[(1S,3R,6S,8R,11R,12S,13R,14R,15R,16R)-14-hydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-13-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
664.90
3.8
5
10
155.14
6
(2S,3R,4S,5R)-2-[[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17S)-13,14,17-trihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
638.80
1.9
7
10
169.3
4
[(3S,4aR,5S,6R,6aR,10R,10bR)-5-benzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxo-6-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] pyridine-3-carboxylate
680.70
5.1
0
11
140.21
9
[(3S,4aR,5S,6R,6aR,10R,10bR)-10-benzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxo-5-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
680.70
5.1
0
11
140.21
9
[(3R,4aS,6S,6aR,10R,10bR)-4a,6a,7,10b-tetramethyl-2'-oxo-6-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] pyridine-3-carboxylate
560.60
3.8
0
9
113.91
6
[(1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,5,12-triacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate
690.60
1.3
1
16
213.54
15
4-Hydroxy-2,3,9-trimethoxypterocarpan
330.30
2.6
1
6
66.38
3
2-Methoxymedicarpin
300.30
2.6
1
5
57.15
2
(2R,3R,4S,5R,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol
650.90
4.1
6
9
149.07
5
(2R,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-14-methoxy-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]oxy]-6-methyloxane-3,4,5-triol
634.90
5.3
5
8
128.84
4
[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,13,20,20-hexamethyl-10-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-9-yl]methyl acetate
660.90
4.7
4
9
134.91
5
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aS)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3,4,6,6a,7,8,8a,10,11,12-decahydro-1H-picen-5-one
779.00
2.2
8
13
215.83
7
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
813.00
2.5
9
14
228.22
8
Ethanamine, N-methyl-
59.11
0.1
1
1
12.03
1
Anthrone, 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-methyl-
402.40
1.1
6
8
147.68
2
2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione
686.60
1.4
10
14
262.74
5
(3S,3aS,5aR,6R,9aS,9bS)-3,5a,9-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
412.50
0.5
4
8
125.68
3
(3R,3aR,3'aR,4aS,4'aR,5S,5aR,6aR,7'S,7'aR,8'aR)-7'-(3-hydroxybutyl)-5-[(3S)-3-hydroxybutyl]-7'a-methyl-3'-methylidenespiro[4,4a,5,5a,6,6a-hexahydro-3aH-cyclopropa[f][1]benzofuran-3,5'-4,4a,6,7,8,8a-hexahydro-3aH-cyclopenta[f][1]benzofuran]-2,2'-dione
486.60
4.1
2
6
93.06
6
[(2R,3S,4R,5R,6S)-6-(4-formylphenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
446.40
0.6
5
10
162.98
8
[(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3,5,6,10-tetrahydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (Z)-2-methylbut-2-enoate
588.80
5.4
5
7
127.45
4
[(2R,3S,4R,5R,6R)-6-[[(12R)-2-(3,4-dihydroxyphenyl)-5,9,10-trihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-12H-pyrano[2,3-a]xanthen-12-yl]methoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1231.10
-2.3
18
31
503.72
16
Jump to page: