| Compound ID | EDG-MED-b1ef7fe3-1 |
| ΔG / kcal M-1 | −9.5 ± 0.1 |
| pIC50 | 6.94 ± 0.10 |
| ΔG / kcal M-1 | −9.3 ± 0.1 |
| pIC50 | 6.8 ± 0.1 |
| IC50 / µM | 0.158 ± 0.158 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1254 | MAT-POS-c7726e07-5_1 |
|
EDG-MED-b1ef7fe3-1_1 |
|
−1.4 ± 0.4 |
|
|
|
|||
