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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
N-acetylglucosaminylasparagine
335.31
-5.7
7
9
191.44
6
N,N-Dimethylarginine
202.25
-3.6
3
4
104.94
6
cyclic ADP-ribose
541.30
-5.7
7
16
280.78
0
(1S,4R,6S,11R,12S)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.04,6.013,18]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde
454.60
6.6
2
5
83.83
4
Dibutyl disulfide
178.40
3.4
0
2
50.6
7
15-Oxo-octacosanoic acid
438.70
10.5
1
3
54.37
26
5-Hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
182.22
1.5
1
3
46.53
0
(1S,2S)-1-(4-methoxyphenyl)propane-1,2-diol
182.22
0.8
2
3
49.69
3
Topaquinone
211.17
-4.1
3
6
117.69
3
Bruceolline D
199.25
2.4
1
1
32.86
0
[(S)-methylsulfinyl]sulfanylmethane
110.20
-0.1
0
3
61.58
1
Tridecane
184.36
6.6
0
0
0
10
5-Hydroxy-2-[2-(4-hydroxyphenyl)acetyl]-3-methoxybenzoic acid
302.28
2
3
6
104.06
5
Tetradecane
198.39
7.2
0
0
0
11
1,2-Dihydroxypropane-1,2,3-tricarboxylic acid
208.12
-2.6
5
8
152.36
5
[3-(3-Hydroxy-2-phenylpropanoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 2-methylpropanoate
375.50
2.5
1
6
76.07
8
Pentadecane
212.41
7.7
0
0
0
12
alpha-D-Galactose 1-phosphate
260.14
-3.8
6
9
166.72
3
Heptyl ether
214.39
5.8
0
1
9.23
12
10-Oxotetracosyl icosanoate
663.20
19.3
0
3
43.37
42
Octaethyleneglycol monododecyl ether
538.80
4.1
1
9
94.07
34
Hexadecyl acetate
284.50
7.7
0
2
26.3
16
l-Alanyl-l-glutamine
217.22
-4.4
4
5
135.51
6
gamma-Glutamylcysteine
250.27
-3.8
5
7
168.52
7
1-Bromopentadecane
291.31
8.7
0
0
0
13
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