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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
Montacin
610.90
6.9
4
8
133.52
26
3-Methyl-1-butene
70.13
2.2
0
0
0
1
2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3,7-dihydroxychromen-4-one
624.60
5
8
11
209.12
5
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
638.60
2
7
14
225.81
9
Malvidin 3-(6''-p-caffeyglucoside)
655.60
8
14
236.36
10
1-O-Deacetyl-1-O-tigloylohchinolide A
686.80
5.6
0
10
127.57
9
(2R,3R,4R,5R,6S)-2-[(2R)-4-[(1S,2S,4S,6S,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-methyloxane-3,4,5-triol
726.90
1.1
8
13
207.99
8
(2s,3s,4r,8z)-1-O-(beta-d-glucopyranosyl)-2-[(r)-2'-hydroxydocosanoyl]amino-8-octadecene-1,3,4-triol
816.20
12.2
8
10
189.17
39
Ethyl 4-deuteriobenzoate
151.18
2.6
0
2
26.3
3
(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
170.25
2
2
2
40.46
5
6-Methoxycoumarin
176.17
1.4
0
3
39.44
1
Senkyunolide F
206.24
1.4
1
3
46.53
2
(I+/-R,I(3)S)-I(3),4-Dimethyl-I+/--(2-methyl-1-propen-1-yl)benzenepropanol
218.33
4.1
1
1
20.23
4
(3R,6E)-nerolidol
222.37
4.6
1
1
20.23
7
(1R,3aR,4S,7R,8aR)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
222.37
4.3
1
1
20.23
1
Clausine O
227.21
2.7
3
3
73.32
1
(2E,6E,10S,11R)-10-hydroxy-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
236.35
3
1
2
37.3
0
(Z)-Pentadecenoic acid
240.38
6.5
1
2
37.3
12
methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
252.26
2.1
0
5
53.99
6
[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl] acetate
256.30
2.6
0
3
35.53
5
2,3-Dimethoxybenzo[g][1]benzofuran-4,5-dione
258.23
2
0
5
65.74
2
Lansamide I
263.30
3.8
0
1
20.31
4
Ricciocarpin B
264.32
2.3
0
4
52.6
1
(+)-1-[(Z)-(6,7-Dihydro-3-oxo-1(3H)-isobenzofuranylidene)methyl]propyl (2Z)-2-methyl-2-butenoate
288.34
3.2
0
4
52.6
5
(3R,6R)-6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione
291.34
2.8
0
4
55.84
4
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