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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
(1S,2R,4aS,6aR,6aS,6bR,8aS,10R,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
456.70
7.3
2
3
57.53
1
(1R,4aS,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
240.38
3
2
2
40.46
1
methyl (1S,3S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
406.40
-1.8
5
11
164.37
5
Clemastanin A
508.50
0
7
11
178.53
9
5-hydroxy-7-methoxy-3-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
446.40
1.2
5
10
159.05
5
7-[(2R,3S,4R,5R,6S)-3-[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
564.50
-0.4
8
14
228.97
7
(1R,4E,7R,9S)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
389.40
3
3
4
90.12
3
(1S,2R,8R,15R)-15-hydroxy-13-oxa-7-azatetracyclo[6.5.2.01,10.02,7]pentadec-10-en-12-one
235.28
0.2
1
4
49.77
0
[(2S,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
478.40
0.6
7
11
186.37
9
(1R,3aS,4R,8aR)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
238.37
2.1
2
2
40.46
1
(5R,6S,7R)-5-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2,3-diol
346.40
1.7
5
6
110.38
4
(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
390.34
-3.8
7
11
186.37
5
(2S,3S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
316.30
-0.8
6
8
139.84
5
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
464.40
0.4
8
12
210.51
4
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
624.50
-1
9
16
258.43
7
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
432.40
-0.1
6
10
170.05
4
Splendoside
406.40
-2.7
6
11
175.37
6
galloyl(-3)[galloyl(-6)]L-Glc(b)-O-galloyl
636.50
0.4
11
18
310.66
10
(3R,4aR,6aS,6bR,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-ol
424.70
8.9
1
1
20.23
0
(1S,2R,5S,6R,7R,8R)-6-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
238.37
2.7
2
2
40.46
1
(4S)-4-Hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]cyclohex-2-en-1-one
412.50
-0.2
5
8
136.68
6
(2R,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
462.40
0.8
7
12
207.35
4
Metasequoic acid A
302.50
5.8
1
2
37.3
4
5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
514.50
3.5
5
10
159.05
6
(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
450.40
0.2
7
11
186.37
4
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