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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
Stigmasterol 3-palmitate
651.10
16.5
0
2
26.3
21
[17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate
651.10
16.5
0
2
26.3
21
Stigmasteryl stearate
679.20
17.5
0
2
26.3
23
1-Pentatriacontene
490.90
19.2
0
0
0
32
1-Tetracontene
561.10
21.9
0
0
0
37
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol
428.60
6.7
1
3
38.69
4
(1R,2R,5R,6R,9R,10R,13S,15R)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
428.60
6.7
1
3
38.69
4
Bicyclo[4.1.0]hepta-1,3,5-triene
90.12
1.5
0
0
0
0
3,7-Dimethoxyphenanthren-2-OL
254.28
4
1
3
38.69
2
isomarchantin C
424.50
6.5
2
4
58.92
0
Isoriccardin C
424.50
6.5
3
4
69.92
0
Epirobinetinidol-(4I(2),8)-catechin
594.50
2
11
13
240.99
3
(+)-Gallocatechin-(4alpha->8)-(+)-catechin
594.50
2
11
13
240.99
3
Prodelphinidin B1
610.50
1.7
12
14
261.22
3
Prodelphinidin B3
610.50
1.7
12
14
261.22
3
[(2R,3R,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
746.60
3.2
13
17
307.75
6
Hispidulin 7-sulfate
380.30
1.1
3
9
151.88
4
[(2R,3R,4S)-6-acetyloxy-4-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl acetate
528.50
3.4
0
10
123.66
13
7-Hydroxy-6-methyl-4-propan-2-ylchromen-2-one
218.25
2.6
1
3
50.44
1
7-Hydroxy-3-methoxy-6-methyl-4-propan-2-ylchromen-2-one
248.27
2.8
1
4
59.67
2
4,6-Dihydroxy-1,3-dimethoxy-9H-xanthen-9-one
288.25
2.2
2
6
89.13
2
1,4-Dihydroxy-2,5,6-trimethoxyxanthone
318.28
2.7
2
7
98.36
3
31-Norcycloartanone
412.70
9.6
0
1
17.07
5
1-[(Prop-1-en-1-yl)oxy]prop-1-ene
98.14
1.8
0
1
9.23
2
Codisterol
398.70
8.7
1
1
20.23
5
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