DrugRep

Virtual Screening Server for Drug Repurposing
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Compounds
Name
Score
Note: the score ranges from 0 to 1.00.   1.00 indicates identical molecules and 0 means no similarity detected.

Query:

Compound:

Ligand information:

Query Compound
Molecular Weight: 0.001 0.001
No. of Hydrogen Bond Donors: 0.001 0.001
No. of Hydrogen Bond Acceptors: 0.001 0.001
No. of Rotatable Bonds: 0.001 0.001
No. of Nitrogen and Oxygen Atoms: 0.001 0.001
No. of Rings: 0.001 0.001
logP: 0.001 0.001

3D view:

Similarity scores:
Ligmate: 0.000 FitDock: 0.000 Rigid-LS-align: 0.000 Flexi-LS-align: 0.000 FP2: 0.000 FP4: 0.000 Morgan Fingerprint： 0.000
Targets:

Pharmacodynamics:

External links:

Download the Ligand-based Screen result.

ID Name Formula CAS Score MW HBD HBA RB NOA Rings LogP