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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
(9S)-3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran
214.30
4.8
0
1
13.14
0
Farnesiferol C
382.50
5.5
0
4
48.67
6
3,7,11-trimethyl-(2Z,6E)-2,6,10-dodecatrienoic acid
236.35
5
1
2
37.3
7
(1S,9S)-4-hydroxy-5,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one
327.40
1.9
1
5
59
2
Flemingin B
422.50
5.7
4
6
107.22
6
Flemingin C
422.50
5.7
4
6
107.22
6
Forsythide
390.34
-1.8
6
11
183.21
5
Acacetin-7-O-neohesperidoside
592.50
0.1
7
14
217.97
7
Fragilin
318.71
3.7
2
5
83.83
1
7-hydroxy-6-methoxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
370.31
-0.6
5
10
159.05
4
Friedelane
412.70
11.6
0
0
0
0
Epifriedelin
426.70
9.8
0
1
17.07
0
(4R,4aS,6aS,6aS,6bS,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
426.70
9.8
0
1
17.07
0
Methyl 2-hexa-2,4-diynyl-6-methoxybenzoate
242.27
3.2
0
3
35.53
5
1-Deoxy-L-galactitol
166.17
-2
5
5
101.15
4
L(-)-Fucose
164.16
-2.4
4
5
97.99
4
Stigmastan-3beta-ol
416.70
10.2
1
1
20.23
6
(3S,5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
416.70
10.2
1
1
20.23
6
methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
396.40
3.6
3
7
121.13
3
2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
448.40
0
7
11
190.28
4
7-(1,3-Benzodioxol-5-yl)-4-methoxyfuro[3,2-g]chromen-5-one
336.30
3.4
0
6
71.04
2
17,17-Dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol
390.50
5.5
1
4
47.92
2
(2R,10R)-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol
390.50
5.5
1
4
47.92
2
Gentioside
552.50
-1.1
7
14
217.97
6
(1E,4Z)-germacrene B
204.35
4.1
0
0
0
0
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