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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
2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbutyl)chromen-4-one
426.50
6.6
4
6
111.13
7
Stigmast-4-ee-3,6-dione
426.70
8.4
0
2
34.14
6
methyl N-acetyl-N-hydroxycarbamate
133.10
-0.6
1
4
66.84
1
Vertixanthone
270.24
3
1
5
76.74
2
2-Hydroxyvertixanthone
286.24
3.2
2
6
96.97
2
3-(5-Hydroxymethyl-5-methyl-2-oxo-5h-furan-3-yl)-2-methylpropanoic acid
214.21
0.1
2
5
83.83
4
Xanthogalenol
354.40
5.1
3
5
86.99
6
(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-methylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
418.40
-2.3
7
11
178.53
5
2-(3,4-Dihydroxyphenyl)-3-[4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxychromen-4-one
772.70
-2.9
13
21
348.58
9
Apigenin 7-[rhamnosyl-(1->2)-galacturonide]
592.50
0
8
15
246.04
6
Kaempferol 3-rhamnoside 7-galacturonide
608.50
-0.3
9
16
266.27
6
Macarangaflavanone B
408.50
6.2
3
5
86.99
5
Lupinalbin B
352.30
5.1
3
6
104.04
2
Lupinalbin C
368.30
3.5
3
7
113.27
1
2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
866.80
3.3
15
18
331.14
5
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-catechin
866.80
3.3
15
18
331.14
5
(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
652.60
-0.7
7
15
215.45
10
7-(2,6,7-Trihydroxy-7-methyl-3-methylideneoctoxy)chromen-2-one
348.40
2.1
3
6
100.13
8
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
388.40
2.8
2
7
94.45
7
4-[10-Hydroxyneryloxy]-5-methylcoumarin acetate
370.40
4.6
0
5
65.74
9
Neodiosmin
608.50
-0.3
8
15
238.2
7
Isorhamnetin7-O-alpha-L-rhamnoside
462.40
1.2
6
11
179.28
4
Butyl phenyl ether
150.22
3.5
0
1
9.23
4
ethyl 2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
238.32
2.3
0
3
43.37
7
Henryoside
584.50
-0.9
9
15
245.29
10
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