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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
erythro-Guaiacylglycerol |A-dihydroconiferyl ether
378.40
1.6
4
7
108.61
10
Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol
378.40
1.6
4
7
108.61
10
(3S,3aS,6E,9S,10E,11aS)-3,10-dimethyl-2-oxo-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde
426.50
-0.5
4
9
142.75
4
Lactuside C
424.40
-1.1
4
9
142.75
3
Dammara-20,24-dien-3 beta-ol
426.70
10
1
1
20.23
4
Dammaradienol
426.70
10
1
1
20.23
4
(1S,2R,4aS,6aS,6bR,12aR,12bR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
454.70
7
1
3
54.37
1
6Beta,7Alpha-Dihydroxyroyleanone
348.40
2.2
3
5
94.83
1
(1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
204.35
4.1
0
0
0
0
(1S,2Z,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
204.35
4.1
0
0
0
0
Bicyclogermacrene
204.35
4.1
0
0
0
0
Isolepidozene
204.35
4.1
0
0
0
0
6,8,9,10'-Tetrahydroxy-1',6,6',9,10'-pentamethylspiro[3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-3,13'-4-oxatetracyclo[10.2.1.02,11.03,7]pentadec-2(11)-ene]-2,5'-dione
528.60
-0.1
4
8
133.52
0
gamma-Glutamyl-S-methylcysteine sulfoxide
280.30
-5
4
8
166
8
N-gamma-L-Glutamyl-L-methionine
278.33
-3.1
4
7
155.02
9
gamma-L-Glutamyl-L-methionine sulfoxide
294.33
-4.7
4
8
166
9
O-methylepivincanol
310.40
3.5
0
2
17.4
2
(15R,17R,19R)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
310.40
3.5
0
2
17.4
2
(15R,17S,19R)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
310.40
3.5
0
2
17.4
2
1,2,10-trimethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol
357.40
2.5
1
5
70.98
3
(-)-Caryachine
325.40
2.8
1
5
51.16
1
[(1S,2R,4R,7E,10R,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (Z)-2-methylbut-2-enoate
346.40
1.9
0
5
65.13
3
2-[(3aR,4R,6S,7R,7aR)-6-ethenyl-6-methyl-4-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl]prop-2-enoic acid
360.40
3.6
1
6
89.9
6
[(3aS,6E,9S,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate
290.40
1.6
0
4
52.6
2
8-Desoxycumambrin b
248.32
1.8
1
3
46.53
0
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