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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
Epiafzelechin-(4beta->8)-epicatechin
562.50
2.7
9
11
200.53
3
(2S,3S)-8-[(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
562.50
2.7
9
11
200.53
3
(2R,3R,4S,5S,6R)-2-[[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
436.40
0.2
7
10
169.3
4
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
562.50
2.7
9
11
200.53
3
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
562.50
2.7
9
11
200.53
3
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
562.50
2.7
9
11
200.53
3
(2R,3R)-8-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
514.50
4.4
6
8
139.84
3
(2R,3R)-8-[(2S,4S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
514.50
4.4
6
8
139.84
3
(2R,3R)-6-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
514.50
4.4
6
8
139.84
3
(2R,3R)-6-[(2S,4S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
514.50
4.4
6
8
139.84
3
Hept-1-EN-2-OL
114.19
2.7
1
1
20.23
4
hydroxy-[(E)-prop-1-enyl]-sulfanylidene-lambda4-sulfane
122.21
3.1
1
3
71.53
1
Apigenin 7-sulfate
350.30
1.1
3
8
142.65
3
Luteolin 7-sulfate
366.30
0.8
4
9
162.88
3
Kaempferol 7-O-sulfate
366.30
1.3
4
9
162.88
3
2,14-Dioxapentacyclo[20.2.2.210,13.13,7.115,19]triaconta-1(24),3,5,7(30),10,12,15,17,19(27),22,25,28-dodecaene-4,12-diol
424.50
6.8
2
4
58.92
0
Homoedudiol
324.40
4.2
2
4
58.92
2
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one
640.50
-0.9
10
17
278.66
8
Aceneuramic acid
309.27
-4.2
7
9
184.62
9
10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
400.70
9.4
1
1
20.23
5
4-Methoxy-1-benzofuran-5-carboxylic acid
192.17
1.8
1
4
59.67
2
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
448.40
0.5
7
11
190.28
4
15-Hydroxy-7-oxodehydroabietic acid
330.40
3.1
2
4
74.6
2
Rhaphidecursinol B
418.50
4.1
1
7
75.61
11
Fragransol C
356.40
3.5
1
5
57.15
6
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