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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
3-Oxotirucalla-7,24-dien-21-oic acid
454.70
7.4
1
3
54.37
5
7beta-Hydroxy-8-epiiridodial glucoside
346.37
0
5
8
128.84
3
gomisin N
400.50
5.1
0
6
55.38
4
Zwiebelane A
162.30
1.3
0
3
61.58
0
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[[(1R,2R,4S,5R,8R,10S,13R,14R,18S,21S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-10-yl]oxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]acetamide
806.00
2.1
7
13
213.7
6
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone
938.10
0.6
9
17
272.62
8
(3R,5R,8R,9R,10S,11R,13R,14R,17S)-3,11-dihydroxy-17-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one
488.70
5
3
5
94.83
4
2-[(1R,2R)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
426.40
-1.7
6
10
170.05
5
galloyl(-2)[galloyl(-3)][galloyl(-6)]a-Glc1Me
650.50
0.9
10
18
299.66
11
[(2R,3R,4R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
762.60
2.8
14
18
327.98
6
Ajugasteron B
506.70
1.5
6
7
138.45
7
(2S)-2-[4-[(2S,3R,4S,5S,6S)-3-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
550.50
-0.8
7
13
204.83
7
8-Epiloganic acid
376.36
-1.7
6
10
166.14
4
(2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triaza-14-azoniabicyclo[12.3.1]octadec-14(18)-en-4-one
473.60
2.8
1
2
55.66
3
(1R,2S)-1,2,9-trihydroxy-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
327.30
1.4
4
5
102.78
1
8-hydroxy-2-(2-hydroxypropan-2-yl)-2,10-dihydro-1H-furo[3,2-a]carbazole-4-carbaldehyde
311.30
2.5
3
4
82.55
2
Undecanedioic acid
216.27
2.7
2
4
74.6
10
CID 15816477
526.70
4.9
2
7
98.52
2
(3aR,4S,8S,9aS,9bR)-Decahydro-4,8-dihydroxy-3,6-dimethyl-9-methyleneazuleno[4,5-b]furan-2(3H)-one
266.33
1.1
2
4
66.76
0
9-[[(2S,4S)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
590.60
4.2
2
11
143.1
7
12-O-Methylinophyllum D
418.50
4.7
0
5
57.9
2
7-O-(p-Hydroxy)benzoyltecomoside
496.50
-0.4
6
12
192.44
7
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enal
234.33
2.7
1
2
37.3
2
3,6,7-Trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone
316.26
1.9
4
7
120.36
2
5alpha-Androstane-3alpha,17beta-diol
292.50
4.2
2
2
40.46
0
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