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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
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-D-glucopyranoside
448.40
0.5
7
11
190.28
4
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
448.40
0.5
7
11
190.28
4
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
448.40
0.5
7
11
190.28
4
(E)-3-Methyl-3-pentenoic acid methyl ester
128.17
1.7
0
2
26.3
3
Corchorusin D
781.00
3.2
8
13
207.99
6
(2R,3S,4S,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol
180.16
-2.8
5
6
110.38
1
Methyl 2-(ethylamino)benzoate
179.22
2.7
1
3
38.33
4
2,3-Epoxy-1,2,3,4-tetrahydronaphthalene-c-1,c-4,8-triol
194.18
-0.6
3
4
73.22
0
(1R,3S,5R,6R)-7,7-dimethyl-2-methylidenebicyclo[3.1.1]heptane-3,6-diol
168.23
0.6
2
2
40.46
0
(1S,2R,4R,5S)-5-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
184.27
1.5
2
2
40.46
1
3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid
299.21
-2.2
5
8
163.2
8
(5S,6S)-5-hydroxy-3-methyl-6-propan-2-ylcyclohex-3-en-1-one
168.23
0.9
1
2
37.3
1
(6S,7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-ol
149.19
0.9
1
2
33.12
0
(3S)-5,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
194.18
2.1
2
4
66.76
0
Panasinsanol B
222.37
4
1
1
20.23
0
(Z)-5-Hexadecenoic acid
254.41
6.2
1
2
37.3
13
5Z-hexadecenoic acid
254.41
6.2
1
2
37.3
13
2,6-Dideoxy-3-O-ethyl-alpha-L-arabino-Hexopyranose
176.21
-0.2
2
4
58.92
2
(1R,2R,4R,7S)-7-aminocycloheptane-1,2,4-triol
161.20
-1.7
4
4
86.71
0
(1R,5R)-5-hydroxy-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
168.23
0.9
1
2
37.3
1
(2R)-3-[(2S,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxypropanoic acid
206.15
-2
4
7
124.29
3
(4aR,6S,7aR)-6-hydroxy-2,4a,7a-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
196.24
0.8
1
3
46.53
0
(4R)-tetradecan-4-ol
214.39
6
1
1
20.23
11
3-(4-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-3-methoxyphenyl)prop-2-en-1-ol
316.40
5
1
3
38.69
9
(1S,2R,4S)-5,6-dimethylbicyclo[2.2.1]hept-5-en-2-ol
138.21
0.7
1
1
20.23
0
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