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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
11-Methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
250.25
2.4
0
3
43.6
1
3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[6-methoxy-2-oxo-3-(2-oxochromen-7-yl)oxychromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid
658.60
0.5
5
16
241.86
12
methyl 2-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]acetate
362.30
0
5
8
136.68
4
6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
424.40
2.5
6
9
156.91
1
1-Hydroxy-2,3,5,6-tetramethoxy-10-methylacridin-9-one
345.30
3.2
1
7
79.15
4
1,6-Dihydroxy-2,3,5-trimethoxy-10-methylacridin-9-one
331.32
2.9
2
7
90.15
3
1,5-Dihydroxy-2,3-dimethoxy-10-methyl-9-acridone
301.29
2.9
2
6
80.92
2
1,5,6-Trihydroxy-2,3-dimethoxy-10-methylacridin-9-one
317.29
2.5
3
7
101.15
2
5-Methoxynoracronycine
337.40
3.9
1
5
60.69
1
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol
795.10
11.5
4
12
194.5
38
Periplocin
696.80
-0.4
6
13
193.83
7
(alphaE)-2,2-Dimethyl-2H-1-benzopyran-6-acrylic acid methyl ester
244.28
3.1
0
3
35.53
3
(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate
480.40
-0.4
7
13
212.67
5
[(2R,3R,4S,4aS,10bS)-3,8,9,10-tetrahydroxy-2-(hydroxymethyl)-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate
466.30
-0.1
8
13
223.67
4
1,2,4,6-Tetragalloyl-beta-D-glucopyranose
788.60
1.5
13
22
377.42
13
4-Methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
362.40
2.4
3
6
111.9
3
gibberellin A25
362.40
2.4
3
6
111.9
3
GA44;Gibberellin 44
346.40
1.6
2
5
83.83
1
Sativoside B1
1423.50
-6
22
35
565.05
22
Protodegalactotigonin
1215.30
-3
17
28
445.44
18
Sativoside R 1
1377.50
-4.6
20
33
524.59
21
(3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside
1245.40
-3.8
17
29
454.67
19
(2R,4S)-2-[(2R)-3,3-dimethyloxiran-2-yl]-4-ethenyl-2-hydroxy-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one
342.40
3.1
1
5
72.2
2
[5-[(E)-4-(furan-2-yl)but-3-en-1-ynyl]thiophen-2-yl]methyl acetate
272.30
3.1
0
4
67.68
5
[5-[(Z)-4-(furan-2-yl)but-3-en-1-ynyl]thiophen-2-yl]methyl acetate
272.30
3.1
0
4
67.68
5
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