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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
Rengyoxide
158.19
-0.1
2
3
49.69
2
8-Demethyllatifolin
328.30
3.5
2
6
89.13
3
6,8-Di-C-methylkaempferol 3,7-dimethyl ether
342.30
3.9
2
6
89.13
3
Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside
782.70
-1.7
10
20
314.19
10
Kaempferol 3-(6''-acetylgalactoside) 7-rhamnoside
636.60
-0.6
8
16
255.27
8
Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside
740.70
-1.7
11
19
308.12
8
6''-Acetylhyperin 7-rhamnoside
652.60
-0.9
9
17
275.5
8
(+)-6-Hydroxymellein
194.18
2.1
2
4
66.76
0
7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone
342.30
2.6
1
7
87.36
3
2-Methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
318.40
3
1
5
57.15
7
(3R)-7,8,2',3'-Tetrahydroxy-4'-methoxyisoflavan
304.29
2.2
4
6
99.38
2
4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
542.60
5.4
4
8
117.84
5
(5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
446.70
5.3
2
4
74.6
5
22,23-Dihydroxyergostane-3,6-dione
446.70
5.3
2
4
74.6
5
3-Dehydroteasterone
446.70
5.3
2
4
74.6
5
CID 14354066
560.70
2.6
3
8
138.2
7
23,24-dihydroisocucurbitacin B
560.70
2.6
3
8
138.2
7
Benzofuran-6-carbaldehyde
146.14
1.8
0
2
30.21
1
Dihydrokaempferol-3-glucoside
450.40
0.2
7
11
186.37
4
Tricin arabinoside
462.40
0.9
5
11
168.28
5
Asperflavin
288.29
2.3
3
5
86.99
1
(8aR,9aR)-5,8a-dimethyl-3-methylidene-7,8,9,9a-tetrahydro-6H-benzo[f][1]benzofuran-2-one
230.30
2.8
0
2
26.3
0
2-[4,5-dihydroxy-2-[[5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
686.60
-7.3
13
20
327.6
10
2-[(5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
348.34
-2.2
6
9
149.07
3
[5-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
390.40
-1.6
5
10
155.14
5
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