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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-Butene-1,4-diol diacetate
172.18
0.3
0
4
52.6
6
2-Ethenyl-2-methyl-5-propan-2-yloxolane
154.25
2.8
0
1
9.23
2
Thiophene-2,5-dicarbonitrile
134.16
1.7
0
3
75.82
0
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
556.90
14.9
0
2
26.3
28
3-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
626.50
-1.8
11
17
289.66
7
Sachaliside
312.31
-0.4
5
7
119.61
5
Vimalin
326.34
-0.1
4
7
108.61
6
2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid
238.67
-0.5
3
3
79.11
3
4-Chloro-D-tryptophan
238.67
-0.5
3
3
79.11
3
2-Nonyne
124.22
4
0
0
0
4
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
610.50
-1.6
10
16
269.43
7
Quercetin 3-arabinoside 7-glucoside
596.50
-1.4
10
16
269.43
6
6'-O-Galloylsucrose
494.40
-3.1
10
15
256.29
8
6-O-Galloylsucrose
494.40
-3.1
10
15
256.29
8
1'-O-Galloylsucrose
494.40
-3.1
10
15
256.29
8
[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
616.50
1
10
16
277.27
7
Quercilicoside A
666.80
2.5
8
11
197.37
5
1,10,11-Trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
504.70
4.3
5
6
118.22
2
24-Hydroxytormentic acid
504.70
4.3
5
6
118.22
2
Taraxasterol palmitate
665.10
17
0
2
26.3
16
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate
665.10
17
0
2
26.3
16
2-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one
342.30
3.1
0
6
67.13
5
5,6,2',3',4'-Pentamethoxyflavone
372.40
3
0
7
76.36
6
Junosmarin
346.40
2.6
1
6
85.97
4
Androsta-3,5-dien-7-one
270.40
5.2
0
1
17.07
0
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