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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
methyl beta-D-fructofuranoside
194.18
-1.6
4
6
99.38
3
(R)-3,4-Dimethoxy-alpha-((methylamino)methyl)benzenemethanol
211.26
0.2
2
4
50.72
5
Licorice-saponin H2
822.90
3.7
8
16
267.04
7
(2',2'-dimethyl-4,5'-dioxo-2-phenylspiro[8H-furo[2,3-h]chromene-9,4'-oxolane]-3'-yl) acetate
420.40
2.9
0
7
92.04
3
Glabratephrin
420.40
2.9
0
7
92.04
3
24,25-Dihydroxyvitamin D
416.60
5
3
3
60.69
6
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate
745.00
9.5
0
10
123.66
17
ST 29:2;O;Hex
574.80
7
4
6
99.38
8
Stigmasteryl-beta-d-glucopyranoside
574.80
7
4
6
99.38
8
ST 28:1;O;Hex
562.80
7.2
4
6
99.38
8
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
562.80
7.2
4
6
99.38
8
campesterol beta-D-glucoside
562.80
7.2
4
6
99.38
8
campesterol-3-O-beta-d-glucoside
562.80
7.2
4
6
99.38
8
24-methylenecholesteryl beta-D-glucoside
560.80
7
4
6
99.38
8
Isofucosterol glucoside
574.80
7.3
4
6
99.38
8
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
574.80
7.3
4
6
99.38
8
Maesol
442.60
9.5
2
4
58.92
15
Helicide
284.26
-0.9
4
7
116.45
4
1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
630.50
-1.8
8
17
301.13
8
Gibberellic Acid 3-Isolactone
346.40
-0.5
3
6
104.06
1
Herbacetin 3,7,4'-trimethyl ether
344.30
3.1
2
7
98.36
4
2,3,4-Tri-O-methyl-alpha-D-xylopyranose
192.21
-0.9
1
5
57.15
3
Dehydrotanshinone II A
292.30
4
0
3
47.28
0
[(10R,11S,12R,13S,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
786.60
1.2
13
22
377.42
6
2-(Benzylideneamino)-2-phenylacetic acid
239.27
3
1
3
49.66
4
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