| Compound ID | EDG-MED-0da5ad92-16 |
| ΔG / kcal M-1 | −6.4 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN80 | ADA-UCB-6c2cb422-1_1 |
|
EDG-MED-0da5ad92-16_1 |
|
1.5 ± 0.1 |
|
|
||||