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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
Ethyl 2-bromoisobutyrate
195.05
1.9
0
2
26.3
3
6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-
184.27
3.3
0
2
26.3
6
(1R,4R,5R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
220.35
4.3
0
1
17.07
1
(1S,3aS,7R,8aS)-1-methyl-4-methylidene-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulen-3a-ol
220.35
3.7
1
1
20.23
1
4-Quinolin-3-ylphenol
221.25
3.4
1
2
33.12
1
Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, (1R,2S,5R,8S)-
222.37
4.2
1
1
20.23
0
Isopetasol
234.33
2.8
1
2
37.3
0
5-Hydroxysedamine
235.32
1.4
2
3
43.7
3
(1R,2R,4aR,5R,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
238.37
2.6
2
2
40.46
1
2,3-Pentanedione
100.12
0.1
0
2
34.14
2
Damcinic acid
250.33
2.9
1
3
54.37
2
[(1(10)E,2R,4R)]-2-Methoxy-8,12-epoxygemacra-1(10),7,11-trien-6-one
262.34
2.7
0
3
39.44
1
(+)-dendocarbin L
266.33
2
2
4
66.76
0
Ethyl 4-methylpentanoate
144.21
2.1
0
2
26.3
5
Methyl pyruvate
102.09
0
0
3
43.37
2
6,7-Dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone
286.32
1.4
2
4
70.67
3
(4R,6R)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-one
292.28
-1.6
4
8
125.68
3
Galanthamine N-Oxide
303.35
1.3
1
4
61.75
1
Vincaminine
368.40
1.4
1
5
71.77
3
(6aR,11aR)-2,4-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
392.50
6.1
2
4
58.92
4
(4R,5R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
402.40
-2.3
6
9
156.91
6
Uric Acid
168.11
-1.9
4
3
114.37
0
Mammea A/BB
406.50
5.9
2
5
87.74
6
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
418.40
-1.7
5
11
172.21
6
1-methoxy-6-(1-methoxy-3-methylcarbazol-9-yl)-3-methyl-9H-carbazole
420.50
7.1
1
2
39.18
3
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