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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
1-Propanone, 1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-3-phenyl-
420.40
0.9
6
9
156.91
7
Boldine
327.40
2.7
2
5
62.16
2
5-(16-Heneicosenyl)-1,3-benzenediol
402.70
11.4
2
2
40.46
19
5-(14-Nonadecenyl)-1,3-benzenediol
374.60
10.3
2
2
40.46
17
2-amino-4-sulfanyl(213C)butanoic acid
136.18
-3.4
3
4
102.12
3
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
943.10
0.4
12
18
298.14
10
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
498.50
0
7
12
203.44
8
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-6-methylbenzoic acid
304.40
5.3
2
4
66.76
7
(1S,9S,12R,14S)-3-hydroxy-5,9,13,13-tetramethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-triene-4-carboxylic acid
302.40
4
2
4
66.76
1
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-4,5-dihydroxy-6-methoxycarbonyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
779.00
4.9
6
13
201.67
7
4-[(2R,3S)-5-(3-hydroxypropyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
344.40
3.3
2
5
68.15
6
Ethyl ferulate-4-glucoside
384.40
-0.4
4
9
134.91
8
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(3R,6R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]oxan-2-yl]methyl acetate
622.60
0.4
4
14
181.06
11
(2R,3R,4S,5S,6R)-2-[(1R,2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
566.60
2.2
5
12
165.76
13
3'-Uridylic acid
324.18
-3.6
5
9
181.12
4
(5R)-5-heptyloxolan-2-one
184.27
3.3
0
2
26.3
6
2'-Cytidylic acid
323.20
-3.2
5
8
187.17
4
methyl (3S)-3-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoate
414.60
6.2
0
3
43.37
4
(1R,5R,6S,8R,9R,12S,13R)-3-amino-5,12,13-trihydroxy-8-methyl-10-oxa-2,4-diazatricyclo[7.3.1.01,6]tridec-3-en-11-one
271.27
-2.3
5
6
137.4
0
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(3,4,5-trihydroxybenzoyl)oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
818.90
3.3
10
15
264.13
8
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-(3,4,5-trihydroxybenzoyl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
818.90
3.3
10
15
264.13
8
methyl (1R,9R,10S,12R,13E,18R)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6-triene-18-carboxylate
324.40
2.4
1
4
41.57
2
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
478.40
0.8
7
12
199.51
4
[(3aR,4R,7S,7aR)-7,7a-dimethyl-2-oxo-3,3a,4,5,6,7-hexahydro-1H-inden-4-yl] (Z)-2-methylbut-2-enoate
264.36
3
0
3
43.37
3
[(1S,3R,4S,7R,8R,10R,13R)-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-7-yl] (Z)-2-methylbut-2-enoate
348.40
3.7
0
5
65.13
3
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