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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
Voacamine
704.90
6.1
2
7
99.89
7
Chromolaenide
404.50
1.8
1
7
99.13
6
[(1R,3S,7R,8R,9Z)-10-(Hydroxymethyl)-1-methyl-6-methylidene-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-9,11-dien-8-yl] 2-methylprop-2-enoate
360.40
0.9
1
7
99.13
4
CID 11953937
346.40
2.5
1
5
72.83
3
Zizyphine F
597.70
3.7
3
7
131.52
8
Purpureaside C
786.70
-2.1
12
20
324.44
14
(1S,13Z,17R,18R)-9-Hydroxy-4,5-dimethoxy-16-oxa-23-azapentacyclo[15.7.1.18,12.02,7.018,23]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one
435.50
4.5
1
6
68.23
2
4,21-Dehydrocorynantheine aldehyde
351.40
2.7
2
3
65.33
4
Epithienamycin E
392.40
-1.4
3
9
183.99
7
1,2-Dihydrovomilenine
352.40
2
2
5
61.8
2
Avermectin B2b
877.10
2.8
4
15
190.29
7
N-Methylbenzamide
135.16
0.9
1
1
29.1
1
Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]
918.80
-0.7
13
23
374.88
14
2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione
436.70
10.9
0
2
34.14
14
3-Hexaprenyl-4-hydroxybenzoic acid
546.80
12.3
2
3
57.53
18
S-(Formylmethyl)glutathione
349.36
-4.6
5
9
201.19
12
3beta-Hydroxy-5alpha-androstane-7,17-dione
304.40
2.2
1
3
54.37
0
Asiaticoside
959.10
0.1
12
19
315.21
10
Glyceollin III
338.40
2.9
2
5
68.15
1
(+)-8'-Hydroxyabscisic acid
280.32
0.9
3
5
94.83
4
2-alpha-D-glucosyl-D-glucose
342.30
-4.2
8
11
189.53
4
2,7,4'-Trihydroxyisoflavanone
272.25
1.8
3
5
86.99
1
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium;chloride
215.72
2
2
24.67
3
Kainic acid monohydrate
231.25
4
6
118.13
4
7-methoxy-9H-carbazole-3-carboxylic Acid
241.24
2.9
2
3
62.32
2
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