| Compound ID | EDG-MED-90036822-77 |
| ΔG / kcal M-1 | −9.9 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1773 | PET-UNK-29afea89-2_1 |
|
EDG-MED-90036822-77_1 |
|
−3.2 ± 0.2 |
|
|
||||