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Affinity Predictor
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Fragment Condition Search
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Drugbank
Zinc
SMILES contains
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Example:
c1ccccc1
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N#C
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Valid
H-Bond Donors (HBD)
H-Bond Acceptors (HBA)
Rotatable Bonds
Polar Surface Area (TPSA)
Stereocenters
LogP
Fraction Csp3
Rings
Aromatic Rings
Heteroatoms
Heavy Atoms
Molecular Weight
Conjugated Systems
Aromatic Systems
Charged Atoms
Total Formal Charge
Halogens
Exact Mass
Search Conditions:
--Select Condition--
H-Bond Donors (HBD)
H-Bond Acceptors (HBA)
Rotatable Bonds
Polar Surface Area (TPSA)
Stereocenters
LogP
Fraction Csp3
Rings
Aromatic Rings
Heteroatoms
Heavy Atoms
Molecular Weight
Conjugated Systems
Aromatic Systems
Charged Atoms
Total Formal Charge
Halogens
Exact Mass
Valid (enter true/false/1/0)
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