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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
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
552.50
-0.5
9
13
218.99
8
grandisine D
259.34
2.2
0
3
37.38
2
(2S)-2-[(2R)-1-chloro-2-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
359.80
3.5
2
5
71.69
2
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S)-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
600.80
6.3
4
7
108.61
7
(1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-14-hydroxy-5-[(1S)-1-hydroxyethyl]-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
364.30
-1.3
2
8
118.12
1
Isopiperolein B
343.50
5.1
0
3
38.77
9
Piperchabamide D
357.50
6.5
1
3
47.56
11
Succinate
116.07
0.7
0
4
80.26
1
Tert-Butylhydroquinone
166.22
2.8
2
2
40.46
1
(2R,9S,11R,12R,14R,16S)-14-methyl-1,4-diazapentacyclo[7.7.1.02,12.03,8.011,16]heptadec-3(8)-en-5-one
258.36
1
1
2
32.34
0
Malate
132.07
0
1
5
100.49
1
Globosuxanthone A
304.25
1.1
3
7
117.2
2
henryine A
348.40
0.7
3
5
94.83
1
8,13-Pentadecadien-11-yn-2-one, (8Z,13Z)-
218.33
4
0
1
17.07
7
Teucladiol
238.37
2.4
2
2
40.46
1
Costaclavin
240.34
3.2
1
1
19.03
0
6-Hydroxytryptamine
176.21
1.2
3
2
62.04
2
Bassic acid
486.70
5.1
4
5
97.99
2
5,6-Dihydroxy-4-(3-methylbutanoyl)-2,6-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione
362.50
4.5
2
5
91.67
7
Lycorenine
317.40
1.2
1
5
51.16
2
Homolycorine
315.40
2
0
5
48
2
Damnacanthol
284.26
2.1
2
5
83.83
2
Digitolutein
268.26
2.8
1
4
63.6
1
Munjistin
284.22
2.8
3
6
111.9
1
Flaviolin
206.15
0.7
3
5
94.83
0
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