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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
3-Methyl-1-penten-3-ol
100.16
1.3
1
1
20.23
2
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
428.40
-1.4
6
10
158.3
8
(1R,3S,4S,5S)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
516.40
1.5
7
12
211.28
9
Baimuxinal
236.35
2.9
1
2
37.3
2
(2S)-2-acetyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
242.23
1.5
0
4
60.44
1
Tilarginine Acetate
248.28
5
6
151.03
6
Pterosin O
232.32
3.1
0
2
26.3
3
cis-Heptadec-3-ene
238.50
8.5
0
0
0
13
(3R,8S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
9.3
1
1
20.23
6
(S)-2-Ethylhexanoic acid
144.21
2.6
1
2
37.3
5
2,3,4-Trimethylhexane
128.25
4.2
0
0
0
3
3,4-Dimethylheptane
128.25
4.5
0
0
0
4
CID 13534461
348.40
0.3
4
6
115.06
2
(1R,2R,4aS,6aR,6aS,6bR,8aR,12aS,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-2,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-4a-carboxylic acid
484.70
4.6
2
5
91.67
1
5,7-Dihydroxy-6,8-dimethyl-2-tricosylchromen-4-one
528.80
14.1
2
4
70.67
22
2-Heptadecyl-5,7-dihydroxy-6,8-dimethylchromen-4-one
444.60
10.9
2
4
70.67
16
Hexadecanoate;hydron
256.42
1
2
40.13
13
Hydron;octanoate
144.21
1
2
40.13
5
Heptanoate;hydron
130.18
1
2
40.13
4
2-Amino-4-methylsulfanylbutanoate;hydron
149.21
2
4
91.45
3
Decanoate;hydron
172.26
1
2
40.13
7
3-Cyanoalanine
114.10
-3.7
2
4
87.11
2
1,1-Dibromo-3,3-dichloroprop-1-ene
268.76
3.4
0
0
0
1
(4S,5S)-3,3,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohexan-1-one
208.30
1.9
0
2
34.14
2
(2S,8S)-5-Isopropylnonane-2,8-diol
202.33
2.7
2
2
40.46
7
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