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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
2,6-Dihydroxyphenazine-1-carboxylic acid
256.21
2
3
6
103.54
1
2,3,7-Trihydroxyphenazine-1,6-dicarboxylic acid
316.22
1.7
5
9
161.07
2
Conduritol B
146.14
-2.1
4
4
80.92
0
Durohydroquinone
166.22
1.8
2
2
40.46
0
2,5-Dihydro-1-methylpyrrole
83.13
0.5
0
1
3.24
0
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylate
852.70
5.2
12
19
330.89
8
5-Hydroxyl methyl furfural
126.11
1.1
1
3
50.44
1
8-Hydroxy-6-methoxy-pentylisocoumarin
262.30
4.3
1
4
59.67
5
Methyltartronic acid
134.09
-1
3
5
94.83
2
5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone
418.40
3.4
1
9
105.82
7
4',7-Dimethoxyisoflavone
282.29
3.1
0
4
48.67
3
4'-Ethylacetophenone
148.20
2.5
0
1
17.07
2
Butane, 1-methoxy-3-methyl-
102.17
1.8
0
1
9.23
3
Corymboside
564.50
-2.2
10
14
250.97
4
Vicenin-1
564.50
-2.2
10
14
250.97
4
L-Mannitol
182.17
-3.1
6
6
121.38
5
5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
610.50
-1.1
10
16
269.43
7
5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
610.50
-1.1
10
16
269.43
7
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)chromen-4-one
610.50
-0.9
10
16
269.43
7
(6S)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carboxylic acid
234.33
4
1
2
37.3
1
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
520.50
0.1
6
11
167.53
9
(2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
520.50
0.3
6
11
167.53
9
(2R,3R,4S,5S,6R)-2-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
520.50
0.3
6
11
167.53
9
Dimethyl peroxide
62.07
0.1
0
2
18.46
1
3-Hydroxycoumarin
162.14
1.8
1
3
50.44
0
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