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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
2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
494.70
0.9
6
7
138.45
5
Makisteron-A
494.70
0.9
6
7
138.45
5
Makisterone A
494.70
0.9
6
7
138.45
5
(1S,13S)-10-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one
368.30
3.4
1
7
87.36
2
4-Hydroxy-3-prenylbenzoic acid glucoside
368.40
1.1
5
8
136.68
6
3-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
368.40
1.1
5
8
136.68
6
Malayoside
534.60
0.7
4
9
142.75
4
(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
534.60
0.7
4
9
142.75
4
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
442.70
7.6
2
2
40.46
0
2,3-Dihydroxyspirostan-12-one
446.60
3.9
2
5
75.99
0
Ent-manool
290.50
5.7
1
1
20.23
4
Ent-13-epi-manool
290.50
5.7
1
1
20.23
4
(3S)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
290.50
5.7
1
1
20.23
4
Metaphanine
345.40
0.7
1
6
68.23
2
1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-
255.31
0.6
2
5
70
3
Cyclosadol
440.70
10
1
1
20.23
4
Cymarol
550.70
0.6
4
9
134.91
5
beta-D-Oleandropyranose
162.18
-0.6
2
4
58.92
1
(4R,5S,6S)-4-methoxy-6-methyloxane-2,5-diol
162.18
-0.6
2
4
58.92
1
[(3aR,4R,6E,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
362.40
1.1
2
6
93.06
5
Euphane
414.70
12.1
0
0
0
5
(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
440.70
9.4
1
1
20.23
5
Cyclopropane, (R,R)-1-((Z)-hex-1'-enyl)-2-ethenyl-
150.26
4.1
0
0
0
5
CID 12312977
406.40
-1.8
5
11
164.37
5
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
426.70
9.2
1
1
20.23
0
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