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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,3R,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
704.80
5.6
3
13
176.51
14
[(2R,3R,4S,5R,6S)-4-[(2S,3R,4R,5R,6R)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
664.70
4.4
3
13
176.51
13
[(2R,3R,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
664.70
4.4
3
13
176.51
13
(2S,3R,4S,4aR,6aR,6bS,8S,8aR,12aS,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
518.70
5.2
5
7
135.29
2
[(1S,4R,4aS,8R,8aR)-8-[2-(furan-3-yl)ethyl]-1-hydroxy-7,8-dimethyl-5-oxospiro[1,2,3,8a-tetrahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
388.50
1.7
1
6
89.27
6
(2R,5S,7R,10R,11R,15R,17S)-2,7,10,11,15,20,21-heptamethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),3(8),13,19-tetraen-9-one
660.70
3.3
0
11
109.37
9
hopenol B
426.70
9.9
1
1
20.23
1
(2R)-5-(hydroxymethyl)-2-[(1R)-1-hydroxy-1-[(8S,9R,10R,13S,14S,17S)-8,14,17-trihydroxy-10,13-dimethyl-1-oxo-3,4,7,9,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-2,3-dihydropyran-6-one
504.60
0.3
5
8
144.52
3
(1S,4aS,4bR,7R,8aS,10aS)-Tetradecahydro-4b,7,8a,10a-tetramethyl-2-(1-methylethylidene)-7-(4-methyl-3-penten-1-yl)-1-phenanthrenepropanol
428.70
9.8
1
1
20.23
6
Ginsenoside Ra1
1211.40
-1.2
16
26
415.98
17
Ginsenoside Ra2
1211.40
-0.6
16
26
415.98
18
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1241.40
-1.3
17
27
436.21
18
H-Cys-Pro-Lys-Lys-Lys-Arg-Lys-Val-Glu-Asp-Pro-NH2
1326.60
-10.5
19
22
624.41
46
[(1R,3aS,4S,8aR)-1,4-dihydroxy-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]methanesulfonic acid
318.40
1.2
3
5
103.21
3
(E)-[(1R,3aS,8aR)-1-hydroxy-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-ylidene]methanesulfonic acid
300.40
1.1
2
4
82.98
2
(1S,2S,5R,6S,7R,8S)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5-sulfonic acid
318.40
1.3
2
5
92.21
2
6,7-O,O-Demethylene-6,7-O,O-dimethylepipodophyllotoxin
430.40
2.1
1
8
92.68
6
methyl (4R,6S)-6-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-oxoethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate
554.50
-0.7
6
13
209.51
13
methyl (4R,6S)-6-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-oxoethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate
538.50
-0.4
5
12
189.28
13
(22E)-3b-Hydroxy-ergosta-5,22-dien-7-one
412.60
7
1
2
37.3
4
(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
472.60
3.5
2
6
91.82
2
[(1R,2R,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R,3S)-2,3-diacetyloxy-2-methylbutanoate
664.70
1.4
1
14
182.72
14
(1S,3aR,4R,8aS)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
254.36
1
3
3
60.69
2
(1S,3aR,4S,8aS)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
254.36
1
3
3
60.69
2
[(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
432.50
4.2
1
6
82.06
6
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