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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
6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
562.50
-0.4
8
13
219.74
4
Neolinustatin
423.40
-3.3
7
12
202.32
7
1,3,5-Trimethoxyxanthone
286.28
2.9
0
5
57.9
3
(5E)-3-methyl-5-[4-[(2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
317.40
2.7
0
5
55.84
5
Butyl Rosmarinate
416.40
3.9
4
8
133.52
11
6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one
356.32
-1.3
4
9
134.91
4
Methyl (1S,9S,10R,11S,12S,19S)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
456.50
1.3
1
8
88.54
6
Vomilenine
350.40
1.4
1
5
62.13
2
L-Rhamnofuranose
164.16
-1.5
4
5
90.15
1
L-Octanoylcarnitine
287.39
3.4
0
4
66.43
11
(S)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid
340.28
0.9
3
9
139.59
9
(6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
170.25
1.2
1
2
29.46
0
Flavonol 3-O-beta-D-glucoside
400.40
1.2
4
8
129.59
4
Bougainvillein-r-I
712.60
-2.5
11
19
328.53
9
Celosianin II
902.80
0.1
11
23
381.13
14
Lampranthin II
726.60
0.9
8
17
284.91
11
Spirasine I
355.50
1.6
1
4
49.77
0
Spiredine
353.50
1.7
0
4
46.61
0
Gymnemic acid I
807.00
3.9
7
14
229.74
10
Senegin II
1457.60
-0.7
16
32
494.88
21
Theasaponin
1233.30
-0.2
14
27
426.73
17
Catharine
822.90
2.8
2
12
168.01
10
Montanol
352.50
2.9
2
4
66.76
8
CID 11953926
385.50
0.7
3
5
78.79
3
Tabernamine
616.80
6.5
2
4
64.36
4
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