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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
ent-Epiafzelechin
274.27
0.7
4
5
90.15
1
5-Glutinen-3-ol
426.70
9.2
1
1
20.23
0
alpha-Glutinol
426.70
9.2
1
1
20.23
0
(2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
290.27
0.4
5
6
110.38
1
(2R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
306.27
0
6
7
130.61
1
3-Epigitoxigenin
390.50
1.6
3
5
86.99
1
(1R,11S,13S)-11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene
399.40
2.5
0
7
58.62
3
(1R,11S,13R,15S,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
317.34
0.7
2
6
71.39
1
7beta-Hydroxysitosterol
430.70
8.2
2
2
40.46
6
Maaliol
222.37
4.1
1
1
20.23
0
(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
426.70
9.9
1
1
20.23
1
Papaverrubine B
385.40
2.1
1
7
67.41
3
(1R,11S,13S)-11,16,17-trimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene
385.40
2.1
1
7
67.41
3
(-)-Pinoresinol
358.40
2.3
2
6
77.38
4
4-[(3R,3aR,6R,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
358.40
2.3
2
6
77.38
4
(-)-Epipinoresinol
358.40
2.3
2
6
77.38
4
CID 12309641
371.40
1.7
2
7
78.41
2
(2S)-2-Hydroxy-3-butenyl-glucosinolate
389.40
-1.9
6
12
220.02
8
Neopulchellin
266.33
1.7
2
4
66.76
0
(3aR,5R,5aS,6S,8S,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
266.33
1.7
2
4
66.76
0
(3aS,5R,5aS,6S,8S,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
266.33
1.7
2
4
66.76
0
(1S,2R,4R,5S)-Cyclohexane-1,2,3,4,5-pentol
164.16
-2.7
5
5
101.15
0
(1S,2R,3R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-3-ol
250.38
1.6
1
3
26.71
0
(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-diol
432.60
5.1
2
4
58.92
0
21-Episerratenediol
442.70
7.5
2
2
40.46
0
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