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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-deoxy-D-arabino-heptulosonate-7-phosphate
288.15
-4
6
10
191.63
8
(6aR,9R)-N-[(1S,2S,4R,7R)-7-benzyl-4-ethyl-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
595.70
2.6
3
6
118.21
5
beta-Ureidoisobutyric acid
146.14
-1
3
3
92.42
3
Saicar
454.28
-4.3
8
14
273.8
9
Cyanidin 3-galactoside p-coumaric acid ester
595.50
8
12
217.9
8
1,3,4-tri-O-galloyl-beta-glucopyranose
636.50
0.4
11
18
310.66
10
Complanadine D
486.70
4.7
3
4
48.98
1
latilagascene E
600.70
5.4
2
8
122.66
9
Petasiphenone
330.29
2.2
4
7
124.29
6
3-[[(2R,3S,4S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
534.40
0.2
7
14
233.65
8
2H-Pyran-2-one, 4-methoxy-6-(2-phenylethyl)-
230.26
2.7
0
3
39.44
4
Chamaecypanone C
430.50
3.4
3
5
94.83
3
(2R,3S)-2,4-bis(4-hydroxyphenyl)-3,6-dihydro-2H-pyran-3-ol
284.31
1.7
3
4
69.92
2
2-[(1R)-1-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpyridin-3-ol
409.60
6.1
2
3
53.35
2
4,4'-Dihydroxydiphenyl ether
202.21
2
2
3
49.69
2
Fragransin A2
344.40
3.7
2
5
68.15
4
8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthren-3-ol
268.40
6.2
1
1
20.23
1
3,6-Anhydro-D-galactose
162.14
-1.9
3
5
86.99
2
avenic acid A
322.31
-6.6
7
10
176.42
13
avenic acid B
221.21
-3.9
5
7
127.09
8
(S,S,S)-avenic acid A
322.31
-6.6
7
10
176.42
13
6-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
594.50
-1.4
10
15
260.2
6
4'-Demethyldeoxypodophyllotoxin
384.40
2.8
1
7
83.45
3
(3S,3aR,7S,8aR)-3,3a,4,7,8,8a-Hexahydro-6-(2-hydroxyethyl)-3,7-dimethyl-2H-cyclohepta[b]furan-2-one
224.30
1.7
1
3
46.53
2
1-[(1R,12R,13R,18R)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
336.40
2.2
0
3
34.47
1
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