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Use one or more search parameters. You may leave any field empty. The search returns results for conjunction of all query parameters. Please note that too many and stringent constraints would reduce the search results, and occassionally may yield null results.
Chemical Name
Canonical SMILE
Antioxidant DPPH value
Range of molecular weight (g/mol)
From
Default
0
100
120
140
160
180
200
220
240
260
280
300
To
Default
0
100
120
140
160
180
200
220
240
260
280
300
Hydrogen bond donors
Default
0
1
2-3
0-5
6+
Hydrogen bond acceptors
Default
0
1
2
4
5-6
0-10
7+
Type of molecules
ALL
synthesis
Natural
Number of Rings
Number of Atoms
Total charge of the molecule
Log of the octanol/water partition coefficient
Rotatable Bonds
Number of Aromatic Bonds
Number of Aromatic Rings
Molecular mass density
Heavy Atom Count
Area of van der Waals surface
Total polar van der Waals surface area
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