P428
| Id | 428 |
| Inchikey | UGPMJSLBUHWQSO-UHFFFAOYSA-N |
| Smiles | c1cc(NCCCNCc2ncc[nH]2)ccn1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.778887 |
| Binding_energy | -26.725444 |
| Ligand_energy | 18.45668068806475 |
| Placement | Placement_428 "DNV2_NS5A-x0191 w/ C428" |