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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
(1S,9S,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
260.33
0.6
1
3
45.47
0
Barbatolic acid
390.30
2.9
5
10
178.66
7
A1-Barrigenol
490.70
4.8
5
5
101.15
1
4,8a-Bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-2,3-diol
474.70
5.9
4
4
80.92
2
(2R,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
502.70
5.8
4
6
115.06
2
(S)-Batatic acid
196.20
1.5
1
4
67.51
5
(3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
426.70
9
1
1
20.23
0
(+)-Bebeerine
594.70
6
2
8
83.86
2
CID 12300053
608.70
6.1
1
8
72.86
3
Grisabutine
596.70
6
3
8
94.86
8
trans-beta-Bergamotene
204.35
5.1
0
0
0
3
(+)-Endo-beta-bergamotene
204.35
5.1
0
0
0
3
(2R,3R,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
328.27
-1
5
9
145.91
2
(3S,5R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.3
1
1
20.23
5
14-Hydroxyisocaryophyllene
220.35
3.1
1
1
20.23
1
[(1R,4E,9R)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
220.35
3.1
1
1
20.23
1
14-Hydroxy-9-epi-caryophyllene
220.35
3.1
1
1
20.23
1
7,7a(2)-Dihydroxy[6,6a(2)-bi-2H-1-benzopyran]-2,2a(2)-dione
322.30
2.8
2
6
100.88
1
(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(2Z)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene
272.50
7.2
0
0
0
3
Bisabolangelone
248.32
1.8
1
3
46.53
1
beta-Bisabolol
222.37
4
1
1
20.23
4
6-Epi-beta-bisabolol
222.37
4
1
1
20.23
4
(1S,9S)-5,12-dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-4,13-diol
327.40
2.6
2
5
62.16
2
2-[3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
465.40
9
11
211.83
4
CID 12300170
416.50
5.8
2
6
93.06
7
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