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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
rac-(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
490.60
7.6
4
6
107.22
8
Vitexfolin A
504.50
0.7
6
11
183.21
10
Hexadecanedioic acid
286.41
5.4
2
4
74.6
15
rel-(6R,8S)-6,8-Tetratriacontanediol
510.90
15.4
2
2
40.46
31
(1R,16S,17R,18S,20R)-17-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-oxa-12-aza-2-azoniapentacyclo[14.3.1.02,14.05,13.06,11]icosa-2(14),3,5(13),6,8,10-hexaene-20-carboxylate
512.50
1.4
5
9
168.41
4
5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 3,4-Di-O-Acetyl-6-Deoxy-Alpha-L-Mannopyranoside
516.40
2.4
4
12
182.19
7
triptogelin C-1
516.60
3.8
0
9
114.43
9
Demethylsimmondsin-2'-ferulate, 4-(P)
537.50
-1.5
6
13
208.39
9
Melitric acid A
538.50
3.7
7
12
211.28
11
Sennidin B
538.50
4.8
6
10
189.66
3
methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
542.50
1.1
3
11
165.89
5
Hexenal
98.14
1.5
0
1
17.07
3
Casearborin D
554.60
4.9
2
9
128.59
10
[(2S,4aS,4bR,7S,8S,8aR,10aR)-4',5'-diacetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl] acetate
554.70
7.3
0
7
88.13
6
Shikometabolin A
556.60
4.1
6
9
172.59
5
cassumunin A
558.60
6
2
8
111.52
13
(4R,4aR,7S,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
568.70
2.8
4
8
105.86
1
(3S)-3,8,9-trihydroxy-6-methoxy-3-methyl-5-[(6S)-1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,4-dihydroanthracen-1-one
574.60
4.3
6
10
173.98
3
[(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
580.50
2.8
7
12
203.44
10
2''-O-Rhamnosylswertisin
592.50
-0.6
8
14
228.97
6
Luteolin 7-rutinoside
594.50
-1.1
9
15
249.2
6
(E)-3-[(1S,2R,3S,4R)-2,3-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
596.70
5.6
0
6
77.54
7
Isoxanthochymol
602.80
8.9
2
6
100.9
8
(2S)-4-[9-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
622.90
9.7
3
7
105.45
25
annoglacin A
624.90
9.5
4
7
116.45
28
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