| Compound ID | EDG-MED-b1ef7fe3-3 |
| ΔG / kcal M-1 | −8.7 ± 0.1 |
| pIC50 | 6.32 ± 0.09 |
| ΔG / kcal M-1 | −8.8 ± 0.1 |
| pIC50 | 6.4 ± 0.1 |
| IC50 / µM | 0.398 ± 0.398 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN171 | MAT-POS-c7726e07-5_1 |
|
EDG-MED-b1ef7fe3-3_1 |
|
−0.1 ± 0.4 |
|
|
|
|||
