P820
Id | 820 |
Inchikey | ROUNVNLNYKULJE-IUCAKERBSA-N |
Smiles | NC[C@@H]1C[C@@H](CNCc2cncs2)CO1 |
Mol |
|
Is_fingerprinted | False |
Origin | COMPUTED |
Inspiration_distance | 0.814385 |
Binding_energy | -103.018668 |
Ligand_energy | 21.25696908697337 |
Placement | Placement_821 "DNV2_NS5A-x0254 w/ C821" |