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
[(3S,5R,6S,8S,9R,10R,12R,13R,14R,17S)-5,6,8,14,17-pentahydroxy-17-[(1S)-1-hydroxyethyl]-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate
991.20
2.1
8
18
261.98
14
2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
506.50
0.8
5
12
177.51
7
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (2E,4Z,7Z)-deca-2,4,7-trienoate
490.50
-0.8
7
12
195.6
11
(3S,3aR,6S,6aS)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
324.28
-0.6
5
8
136.68
3
(3R,5R)-10-(hydroxymethyl)-6-methyl-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]spiro[4.5]deca-6,9-dien-8-one
412.50
-0.9
5
8
136.68
5
(3R,5R)-3-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-10-(hydroxymethyl)-6-methylspiro[4.5]deca-6,9-dien-8-one
544.60
-2.7
7
12
195.6
8
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]oxane-3,4,5-triol
756.90
1.5
9
14
228.22
10
(3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one
330.40
2.1
2
4
61.8
4
(1R,10R,12R,19R)-12-ethyl-10-methoxy-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
326.40
3.4
0
4
32.78
2
(1R,10S,12R,19R)-12-ethyl-10-methoxy-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
326.40
3.4
0
4
32.78
2
(1R,10R,12R,19R)-10-ethoxy-12-ethyl-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
340.50
3.7
0
4
32.78
3
(1R,12R,19R)-12-ethyl-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-triene-2,10-dione
310.40
2.2
0
3
40.62
1
(1R,12R,19R)-12-ethyl-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7,10-tetraen-2-one
294.40
3.4
0
3
23.55
1
(1R,10S,11S,12S,19R)-12-ethyl-11-hydroxy-10-methoxy-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
342.40
2.4
1
5
53.01
2
(1R,10S,11S,12S,19R)-12-ethyl-10,11-dihydroxy-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
328.40
1.8
2
5
64.01
1
(1R,16S,21S)-16-methoxy-3,13-diazapentacyclo[11.7.1.02,10.04,9.017,21]henicosa-2(10),4,6,8,17-pentaene-1-carboxylic acid
352.40
-0.4
2
4
65.56
2
7-Hydroxy-9,10-dihydrophenanthrene-1,4-dione
226.23
1.6
1
3
54.37
0
(3S)-4-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,6'-cyclohex-2-ene]-1',4'-dione
258.27
1.4
1
4
63.6
1
(3R)-4-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,6'-cyclohex-2-ene]-1',4'-dione
258.27
1.4
1
4
63.6
1
(4aR,10aR)-4a,5-dihydroxy-4-methoxy-1,9,10,10a-tetrahydrophenanthren-2-one
260.28
0.9
2
4
66.76
1
(4aR,10aS)-4a,5-dihydroxy-4-methoxy-10,10a-dihydro-1H-phenanthrene-2,9-dione
274.27
0
2
5
83.83
1
(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
1277.40
-1.8
14
28
435.96
16
(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
1131.30
-0.7
12
24
377.04
14
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1263.40
-1.7
14
27
418.89
16
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-formyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1261.40
-1.9
13
27
415.73
16
Jump to page: