P517
| Id | 517 |
| Inchikey | PIWYUWMHQMXWEY-UHFFFAOYSA-N |
| Smiles | S=c1cc(-c2ccccn2)cn[nH]1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.977775 |
| Binding_energy | -16.7069 |
| Ligand_energy | 24.368114623185882 |
| Placement | Placement_517 "DNV2_NS5A-x0160 w/ C497" |