| Compound ID | EDG-MED-0da5ad92-12 | 
| ΔG / kcal M-1 | −5.8 ± 0.2 | 
| IC50 / µM | TBD | 
| pIC50 | TBD | 
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN786 | ADA-UCB-6c2cb422-1_1 |  | EDG-MED-0da5ad92-12_1 |  | 1.6 ± 0.2 |   |   | ||||