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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
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
684.60
-2
8
17
256.05
11
8-Hentriacontanol
452.80
15.1
1
1
20.23
28
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18R,19R)-5',7,9,13-tetramethyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18,19-triol
626.80
1.5
7
11
178.53
3
[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18R,19R)-18,19-dihydroxy-5',7,9,13-tetramethyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] benzoate
730.90
3.8
6
12
184.6
6
(2E,4E)-5-[(1R,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid
268.35
2.1
3
4
77.76
3
[(1S,2R,4R,6S,8R,11S)-13-(acetyloxymethyl)-4-methyl-9-methylidene-14-oxo-3,7,15-trioxatetracyclo[10.3.0.02,4.06,8]pentadec-12-en-11-yl] 2-(hydroxymethyl)prop-2-enoate
420.40
-0.7
1
9
124.19
7
(1S,4aR,5S,8aR)-5-(5-hydroxy-4-oxopentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
322.40
3.2
2
4
74.6
6
16-Hydroxytotarol
302.50
5.3
2
2
40.46
2
Totaral
300.40
5.2
1
2
37.3
2
4beta-Carboxy-19-nortotarol
316.40
5.2
2
3
57.53
2
Tinophylloloside
536.60
1.1
4
11
165.12
6
[(3S,5aS,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-ethyl-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] acetate
456.70
7.5
0
4
52.6
3
(-)-Kanshone A
236.35
2.8
1
2
37.3
1
7'-Hydroxy ABA
280.32
0.9
3
5
94.83
4
Bicyclosesquiphellandrene
204.35
4.7
0
0
0
1
(1R,4R)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
204.35
4
0
0
0
1
(1S,4R)-1-Isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
204.35
4
0
0
0
1
Catharanthamine
809.00
3.7
2
12
143.1
10
[(2R)-1-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] docosanoate
1438.00
29.4
3
17
256.57
84
[(2R)-1-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] docosanoate
1466.10
30.5
3
17
256.57
86
Perforin A
672.70
2.7
0
14
183.47
9
Sabine
495.60
-0.4
7
8
144.85
0
1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-
237.25
-0.7
1
5
59
4
3,3-Dimethoxy-1-phenylpropane-1,2-dione
208.21
1.1
0
4
52.6
5
(2R,3R)-3-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
300.30
2.3
1
5
64.99
3
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