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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
4-hydroxy-3,6,10-trimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
428.50
-0.7
5
9
145.91
3
9-Methoxy-7-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
474.40
0.8
4
11
157.28
5
7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one
562.50
-0.8
6
13
197.74
8
7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
592.50
-0.8
6
14
206.97
9
Xyl(a1-6)Glc(b1-4)[Xyl(a1-6)]Glc(b1-4)b-Glc
768.70
-10.5
15
24
386.52
11
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
556.60
1.7
5
11
176.12
9
[(3R,3aS,6S,6aS,8R,9aR,9bR)-3,6,9a-trimethyl-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-b]furan-8-yl] acetate
308.40
2.7
0
5
69.67
2
(3R,3aS,6S,6aS,8R,9aR,9bR)-8-hydroxy-3,6,9a-trimethyl-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[8,7-b]furan-2,9-dione
266.33
2.1
1
4
63.6
0
1-aci-nitro-2-(1H-indol-3-yl)ethane
190.20
1
2
2
62.09
2
N-(2-Methylpropyl)dodeca-2,4,8,10-tetraenamide
247.38
4.2
1
1
29.1
8
2-gamma-Linolenoyl-1,3-dilinoleoyl-sn-glycerol
877.40
19.6
0
6
78.9
49
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))
881.40
21
0
6
78.9
51
TG(16:0/18:3(9Z,12Z,15Z)/16:0)
829.30
20.7
0
6
78.9
49
TG(16:0/18:3(6Z,9Z,12Z)/16:0)
829.30
20.7
0
6
78.9
49
TG(18:0/18:3(9Z,12Z,15Z)/18:0)
885.40
22.9
0
6
78.9
53
1-Stearoyl-2-g-linolenoyl-3-stearoyl-glycerol
885.40
22.9
0
6
78.9
53
5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone
422.50
6.2
4
6
111.13
5
Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-
448.60
4.2
3
5
79.15
0
4-Dodecylbenzene-1,2-diol
278.40
7.3
2
2
40.46
11
Phloraspine
432.50
4.5
5
8
144.52
9
Gambiriin C
562.50
2.7
9
11
200.53
3
[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone
648.70
7.9
7
9
171.82
7
4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-11-(4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-
608.70
6.1
2
8
83.86
7
galloyl(-2)[galloyl(-4)][galloyl(-6)]a-Glc
636.50
0.4
11
18
310.66
10
6,8-dihydroxy-2,2,4,4-tetramethyl-5-(2-methylbutanoyl)-9-(2-methylpropyl)-9H-xanthene-1,3-dione
442.50
5.9
2
6
100.9
5
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