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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
3-Methylidene-4-oxopentyl angelate
196.24
1.9
0
3
43.37
6
19-Monoacetyl cincassiol A
410.50
-0.9
4
8
133.52
4
25(27)-Dehydrochondrillasterol
410.70
8.4
1
1
20.23
5
25(27)-Dehydroporiferasterol
410.70
8.7
1
1
20.23
5
Vitexin 2''-xyloside
564.50
-0.8
9
14
239.97
6
Apigenin 7-(6''-O-alpha-rhamnosyl-beta-glucoside)
578.50
-0.8
8
14
228.97
6
(1R,5R)-6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane
204.35
5.1
0
0
0
3
2-trans-O-Feruloylglucaric acid
386.31
-0.8
6
11
191.05
10
Kaempferol 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-6-acetyl-glucopyranoside
652.60
-0.9
9
17
275.5
9
Protocrocin
1573.70
-1.3
22
34
555.82
28
(3S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
440.70
9.7
1
1
20.23
5
Melonin
282.40
3.8
1
2
15.27
1
(3S,5S,10S,13R,14S)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
428.70
9.6
1
1
20.23
6
24epsilon-Ethyl-25(27)-dehydrolophenol
426.70
9.4
1
1
20.23
6
(3S,5S,10S,13R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.3
1
1
20.23
5
24-Ethylcholesta-5-en-7beta-ol
414.70
9.8
1
1
20.23
6
24-Methylcholest-7-en-3-beta-ol
400.70
8.5
1
1
20.23
5
7,22-Stigmastadien-3beta-ol
412.70
8.3
1
1
20.23
5
7beta-Stigmasten-3beta-ol
414.70
9.1
1
1
20.23
6
Apigenin 7-glucuronosyl-glucoside
608.50
-1
9
16
266.27
7
Luteolin 7-glucuronylglucoside
608.50
-1.1
10
16
277.27
6
delta-5,7,22-Cholestatrienol
382.60
7.1
1
1
20.23
4
Leucopelargonidin 3-O-alpha-L-rhamno-beta-D-glucopyranoside
598.50
-2.6
10
15
248.45
6
Sitosterol 3-O-(6'-O-linoleyl-beta-D-glucoside)
839.30
14.6
3
7
105.45
25
Sitosterol 3-O-(6'-O-oleyl-beta-D-glucoside)
841.30
15.2
3
7
105.45
26
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