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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,5S,8R,9S,10R,13R,14S,16R,17R)-2,3,14,16-tetrahydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
420.50
-0.7
4
7
124.29
2
(6aS,6bS,8aS,12aR,14aR)-2,3-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picen-5-one
420.60
6.7
2
3
57.53
0
Kuwanon E
424.50
5.8
4
6
107.22
6
Cratoxyarborenone C
424.50
6.6
2
6
89.13
6
Atrovirisidone
426.50
6.2
3
7
105.45
5
Cycloartobiloxanthone
434.40
4
3
7
109.36
0
Melissoidesin G
434.50
2
2
7
110.13
4
3,7,14-Trihydroxy-18,18-dimethyl-11-(3-methylbut-2-enyl)-2,10,19-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,16,20-heptaen-12-one
436.50
4.6
3
7
105.45
2
Broussonol E
438.50
6
5
7
131.36
5
(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-ol
442.70
7.3
2
2
40.46
1
(2S,3R,4S,5S,6R)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
452.40
-1.4
8
11
189.53
4
9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
452.40
2.2
6
9
156.91
2
lucialdehyde B
452.70
6.3
0
3
51.21
5
N-[(3S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]pyridine-3-carboxamide
465.70
5.5
1
4
62.3
4
3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
476.40
0.6
5
11
168.28
6
Rhamnetin 3-galactoside
478.40
0.7
7
12
199.51
5
Norcamphor
110.15
1
0
1
17.07
0
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
480.40
0
9
13
230.74
4
Segetalin B
484.50
1
6
5
161.29
3
Indanomycin
493.70
7.4
2
4
79.39
9
Strictosamide
498.50
0.4
5
8
144.71
4
coumaroyl(3-OH)(-6)Glc(a1-2b)Fruf
504.40
-2.3
9
14
236.06
9
Eudesobovatol B
504.70
8.6
2
4
58.92
9
Pumiloside
512.50
-0.6
5
10
161.78
4
Kukoamine B
530.70
1.5
7
8
168.38
18
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