P438
| Id | 438 |
| Inchikey | AKRKZZAARJVRCB-UHFFFAOYSA-N |
| Smiles | CC(C)c1c[nH]c(CNCCCNc2ccccc2)n1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.974442 |
| Binding_energy | -18.899672 |
| Ligand_energy | 20.4062801326521 |
| Placement | Placement_438 "DNV2_NS5A-x0472 w/ C438" |