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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
7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one
456.40
-2
6
12
188.51
6
Apiosylskimmin
456.40
-2
6
12
188.51
6
Withacoagin
454.60
3.9
2
5
83.83
2
15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0^{2,4}.0^{5,10}.0^{14,18}]octadec-7-en-9-one
470.60
3.3
2
6
96.36
2
Withanolide B
454.60
4.7
1
5
76.13
2
CID 14236712
454.60
4.7
1
5
76.13
2
Strophanthobiose
324.32
-2.9
5
9
145.91
8
(6-Oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl) hexanoate
252.31
1.8
0
4
52.6
6
(6-Oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl) benzoate
258.27
1.5
0
4
52.6
3
3,6,7,7a-tetrahydro-2H-1-benzofuran-3a,6-diol
156.18
-0.6
2
3
49.69
0
(6-hydroxy-3,6,7,7a-tetrahydro-2H-1-benzofuran-3a-yl) acetate
198.22
0
1
4
55.76
2
(6-hydroxy-3,6,7,7a-tetrahydro-2H-1-benzofuran-3a-yl) octanoate
282.37
3
1
4
55.76
8
(5S,8R)-8-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran
244.33
3.8
0
2
22.37
1
(5S,8S)-8-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran
244.33
3.8
0
2
22.37
1
Leonuriside A
332.30
-0.9
5
9
138.07
5
1,2,3-Propanetriol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-, (1R,2R)-rel-
244.24
-0.6
4
6
99.38
5
(1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol
244.24
-0.6
4
6
99.38
5
(3S,3aR,6S,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
372.40
2
2
7
94.45
4
Flaccidinin
282.25
3.7
2
5
79.9
1
Oxoflaccidin
284.26
3.1
2
5
79.9
1
Imbricatin
270.28
2.6
2
4
58.92
1
Epicatechin-(4beta-8)-epicatechin-(4beta-6)-epicatechin
866.80
3.3
15
18
331.14
5
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
866.80
3.3
15
18
331.14
5
Arecatannin B1
866.80
3.3
15
18
331.14
5
Angustone C
420.50
5.5
3
6
100.13
3
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