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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
Hydroxygenistein
448.40
0.6
7
11
190.28
4
Methylcitronellal
168.28
3.4
0
1
17.07
6
Stigmastenol
414.70
10.7
1
1
20.23
6
Stigmastadienol
412.70
10.6
1
1
20.23
5
(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylhept-1-en-1-ol
400.70
10.6
1
1
20.23
5
Heptagalloylglucose
1244.90
-1.5
26
34
662.54
19
Tinctormine
593.50
-2.2
12
15
277.93
6
alpha-Xylofuranosyluracil
244.20
-2.3
4
6
124.78
2
(E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]prop-2-enamide
440.50
2.7
3
7
122.32
10
Fructosylsucrose
520.40
-7.1
13
17
299.91
7
24-Ethylcholesta-7,22,25-trienol
410.70
9.4
1
1
20.23
5
24-Ethylcholesta-7,25-dienol
412.70
10
1
1
20.23
6
24-Ethylcholesta-7,22-dienol
412.70
8.8
1
1
20.23
6
N-methyl-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide
229.32
3.3
0
1
20.31
4
N-(4-Hydroxyphenethyl)-2,4-tetradecadienamid
343.50
6.8
2
2
49.33
13
(6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylhept-3-en-2-one
412.70
9.7
0
1
17.07
5
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexa-1,3-dien-5-yn-1-ol
178.18
0.3
2
3
49.69
3
Benzoyleugenol
268.31
4.5
1
3
46.53
5
Stigmastanone
414.70
10
0
1
17.07
6
Ergostene
384.70
11.3
0
0
0
5
Ergostenone
398.70
9.7
0
1
17.07
5
Dihydroocimene
138.25
4.2
0
0
0
3
2-(2-Hydroxy-3-methoxy-5-prop-2-enylphenyl)acetic acid
222.24
2.1
2
4
66.76
5
(3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)-3,4,5-tris(3,4,5-trihydroxybenzoyl)-1,7-bis(3,4,5-trihydroxyphenyl)heptane-1,2,7-trione
940.70
-2.2
20
26
507.02
15
Pentamethoxychalkon
358.40
3.5
0
6
63.22
8
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