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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
Yunnancoronarin A
300.40
5
1
2
33.37
2
Yunnacoranarin-D
314.40
3.6
1
3
50.44
3
Leojaponin
314.40
4.6
1
3
50.44
3
[(1R,2R,10S,11R,13S,15S)-15-methyl-14-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
305.40
2.1
0
4
46.61
2
Protoporphyrinogen
568.70
5.7
6
4
137.76
8
7-Hydroxy hedychenone
314.40
4.7
1
3
50.44
2
2-Methyltryptoline
186.25
2
1
1
19.03
0
2-Butenoic acid, ethyl ester
114.14
1.3
0
2
26.3
3
2-Amino-3-prop-2-enylsulfinylpropanoic acid
177.22
-3.5
2
5
99.6
5
(1R,2R,3R,4R,11R,12R,19S,24S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-7,15-dihydroxy-2,11-bis(4-hydroxyphenyl)-10,18-dioxaheptacyclo[11.10.2.15,9.01,19.04,24.017,25.012,26]hexacosa-5(26),6,8,13(25),14,16,22-heptaen-21-one
906.90
8.1
8
12
206.6
5
Agropine
292.29
-3.7
6
8
162.34
7
18a-Glycyrrhetinic acid
470.70
6.4
2
4
74.6
1
Shikimate-3-phosphate
254.13
-2.8
5
8
154.33
3
Methyl 3,4-dihydroxy-2-methoxybenzoate
198.17
1
2
5
75.99
3
2'-Deoxy-thymidine-beta-L-rhamnose
548.33
-4.8
7
15
276.15
8
Chitintriose
501.50
-7.9
11
16
293.89
11
2-Isopropylfuran
110.15
2.1
0
1
13.14
1
2-Benzylfuran
158.20
2.9
0
1
13.14
2
4-Decanone
156.26
3.2
0
1
17.07
7
D-arabinonic acid
166.13
-2.7
5
6
118.22
4
3,7-Dimethylisoguanine
179.18
-0.9
1
2
78.73
0
Methyl valerate
116.16
2
0
2
26.3
4
Ethyl acetate-1-13C
89.10
0.7
0
2
26.3
2
1,2,3,4-Tetrahydro-1-(4-hydroxyphenyl)-6,7-isoquinolinediol
257.28
2
4
4
72.72
1
2-Methylbutyl acetate
130.18
2.1
0
2
26.3
4
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