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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
Laciniatin
346.30
2.5
4
8
129.59
3
Leucylarginine
287.36
-4
5
5
156.82
9
6-[5-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2,3-dihydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
556.50
4.4
7
11
198.12
3
Eriosemation
314.40
5.2
2
4
70.67
4
Kanzonol D
322.40
5.2
2
4
70.67
3
11,22-Dihydroxy-7,7,19,19-tetramethyl-4-(3-methylbut-2-enyl)-2,6,20-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,8,10,15,17,21-octaen-13-one
460.50
6.6
2
6
89.13
2
Isopentenol
86.13
1.5
1
1
20.23
1
1,2,5,6-Tetrahydroxy-4-(2-methylbut-3-EN-2-YL)xanthen-9-one
328.30
4
4
6
111.13
2
3-(3,4-Dimethoxyphenyl)-6-hydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
380.40
3.7
1
6
78.13
3
3-(3,4-Dimethoxyphenyl)-7-hydroxy-6-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
396.40
4.7
1
6
78.13
6
1,4,5-Trihydroxy-2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)xanthen-9-one
380.40
6.3
3
5
90.9
4
[4-[(2R,3R)-3-(acetyloxymethyl)oxiran-2-yl]-2-methoxyphenyl] 2-methylpropanoate
308.33
2.1
0
6
74.36
8
[(2R,3R)-3-[3-methoxy-4-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate
336.40
3.1
0
6
74.36
9
6-Methylluteolin
300.26
1.7
4
6
111.13
1
Methyl 4-formylbenzoate
164.16
1.7
0
3
43.37
3
Moxifloxacin
401.40
0.6
2
8
83.8
4
Lyxonic acid
166.13
-2.7
5
6
118.22
4
(+)-Peusedanol
264.27
1.1
3
5
90.9
3
(1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-Hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
600.90
9.8
2
4
58.92
10
(E)-2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxo-3-phenyl-2-propenyl)benzaldehyde
312.30
3.9
2
5
83.83
5
(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
600.90
9.8
2
4
62.22
10
3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol
618.90
8.8
4
5
90.15
10
(2S)-5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
360.40
3
1
7
83.45
5
(2S)-2,3-Dihydro-5-hydroxy-7-methoxy-8-(3-methyl-2-buten-1-yl)-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one
428.50
4.9
1
7
83.45
7
Artocarpanone
302.28
2.4
3
6
96.22
2
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