High-Throughput Virtual Screening

Upload your protein target (PDB) and screen compound libraries to find potential hits.

Upload PDB File

Upload a file

or drag and drop

PDB up to 10MB

Select Database

BIMP ChEMBL COCONUT Drugbank FDA MolPort PubChem ZINC

Upload a Protein Data Bank (.pdb) file to get started.

Molecular Weight

logP

Heavy Atom Count

H-Bond Donors

H-Bond Acceptors

Rotatable Bonds

Molar Refractivity

No. of Atoms

TPSA

No. of Rings

No. of Carbons

No. of Heteroatoms

Lipinski

Ghose

Veber

Egan

Muegge

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High-Throughput Reverse Virtual Screening

Upload your small molecule and screen PDB to find potential targets.

Click to upload or drag and drop

Supported: .pdb, .sdf, .mol, .mol2, .smi

Download Sample

Canonical SMILES