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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
(6S,7Ar)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
584.90
10
2
3
49.69
9
(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2-one
570.80
7.3
2
5
79.29
8
Capsanthone-3,6-epoxide
598.90
9.6
1
4
63.6
11
(2R,3R,4S,5S,6S)-6-[[(3R,4aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
927.10
2.8
10
18
291.82
10
4'-O-(2'-E-Feruloyl GluA(1-2)GluA) Apigenin
798.70
2
9
20
318.87
12
Methyl-mappain
462.60
8.8
3
4
69.92
10
17-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
448.70
5.7
3
4
77.76
5
Typhasterol
448.70
5.7
3
4
77.76
5
(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
448.70
5.7
3
4
77.76
5
(3R,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
448.70
5.7
3
4
77.76
5
Teasterone
448.70
5.7
3
4
77.76
5
9-Methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
235.24
1.2
0
4
48
1
[(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
480.50
-1
5
11
172.21
7
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
951.00
-2.3
13
22
353.9
12
[(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate
303.35
0.9
1
5
62.3
5
(1S,4R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
170.25
1.2
1
2
29.46
0
N-(3-Carboxy-2,3-dihydroxypropyl)-4-((carboxymethyl)amino)threonine
310.26
-8.3
8
11
196.65
11
Delphinidin 3-xyloside
435.40
8
10
191.6
4
(6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E)-15-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
600.90
9
2
4
58.92
8
(3S,5S,9R,10S,13R,14R,17R)-17-[(5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
9.1
1
1
20.23
6
(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
868.10
1.8
9
16
240.69
8
Halocynthiaxanthin acetate
640.90
9.4
1
5
76.13
13
1-(4-Ethylphenyl)ethanol
150.22
2.2
1
1
20.23
2
(9E,15E)-heptadec-9,15-trien-11,13-diyn-4-one
242.36
4.4
0
1
17.07
8
BBTOAc
192.24
2.2
0
3
54.54
3
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