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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
[3.3.3]Propellane
150.26
4.7
0
0
0
0
Lipase, triacylglycerol
238.20
2
5
78.07
2
[2-[1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,5-trihydroxy-6-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
868.70
4.7
13
20
351.12
8
Hexadeca-6,8,12,14-tetraen-10-ynyl acetate
272.40
5
0
2
26.3
9
7-Hydroxy-5,5,9-trimethyl-3-propan-2-ylanthracene-1,2,6-trione
324.40
3.7
1
4
71.44
1
Bisindigotin
490.50
5.1
2
5
86.68
2
Diphenazithionin
610.60
3.8
3
14
224.29
8
Proanthocyanidin A4
576.50
2.4
9
12
209.76
2
Cis-3,5-Dimethoxystilbene
240.30
4.1
0
2
18.46
4
L-Monapterin
253.22
-3.5
5
7
158.24
3
Phenicin
274.22
0.2
2
6
108.74
1
C.I. Natural Red 26
910.80
-2.5
15
22
407.26
11
(6aS,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
547.60
1.8
3
6
118.21
4
Propane, 2-(ethenyloxy)-
86.13
1.6
0
1
9.23
2
(3S,3aS,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-[(2R)-oxiran-2-yl]-2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydro-1H-cyclopenta[a]chrysen-13a-ol
428.70
7.8
1
2
32.76
1
2-(4-hydroxy-2-methoxyphenyl)-4-(4-hydroxyphenyl)-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)chromen-7-one
522.50
4.8
2
7
98.36
5
[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
603.30
-6.4
8
18
357
9
(5E,9Z)-3,6,10-Trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
230.30
2.9
0
2
30.21
0
[5,6-Dihydroxy-3,11,11,14-tetramethyl-4-(2-methylpropanoyloxy)-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl 2-methylpropanoate
488.60
2.9
2
7
110.13
7
(3aS,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
248.32
2.1
0
3
43.37
0
1,2-Naphthalenedione, 7,8-dihydroxy-3-methyl-5-(1-methylethyl)-
246.26
2.8
2
4
74.6
1
2-Hydroxyphenazine-1-carboxylic acid
240.21
2.4
2
5
83.31
1
6-Undecanone
170.29
3.8
0
1
17.07
8
(2S)-4-[(E)-2-[(2R)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
388.30
0.6
5
10
167.96
5
(8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
396.60
8
0
1
17.07
4
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