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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
Gibberellin A29
348.40
0.2
3
6
104.06
1
Gibberellin A61
332.40
1.7
2
5
83.83
1
14-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
332.40
1.7
2
5
83.83
1
7,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
346.40
0.4
3
6
104.06
1
Gibberellin A68
346.40
0.4
3
6
104.06
1
gibberellin A18
364.40
1.4
4
6
115.06
2
8-Formyl-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
362.40
1.7
3
6
111.9
3
17-Hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
346.40
2.1
2
5
83.83
1
Gibberellin A37
346.40
2.1
2
5
83.83
1
Annuionone D
224.30
1
1
3
49.83
2
(E)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
224.30
1
1
3
49.83
2
5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-3-one
384.60
8.4
0
1
17.07
0
(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-3-one
384.60
8.4
0
1
17.07
0
23-Hydroxybetulin
458.70
7.6
3
3
60.69
3
[6-[[6-(Acetyloxymethyl)-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1263.40
-1.4
14
27
418.89
16
5,7-Dimethoxy-3-hydroxyflavone
298.29
2.4
1
5
68.9
3
4,8,10-Trichloro-9-hydroxy-3-methoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
389.60
5.2
1
5
64.99
1
Bletilol B
462.50
4.3
2
7
94.45
5
Carpachromene dimethyl ether
364.40
4
0
5
57.9
3
Homodolichosterone
476.70
4.8
4
5
97.99
5
(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(E,2S,3R,4R)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
476.70
4.8
4
5
97.99
5
2-Deoxy-25-Methyldolichosterone
460.70
6.1
3
4
77.76
5
Bissulfine
178.30
0.2
0
4
34.14
3
10-(5,14,15-Trihydroxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2(7),3,5,12,14,16-hexaen-19-yl)-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
586.50
2.9
7
11
178.53
1
CID 14608471
586.50
2.9
7
11
178.53
1
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