| Compound ID | EDJ-MED-976a33d5-2 |
| ΔG / kcal M-1 | −9.2 ± 0.1 |
| pIC50 | 6.74 ± 0.10 |
| ΔG / kcal M-1 | −9.1 ± 0.1 |
| pIC50 | 6.6 ± 0.1 |
| IC50 / µM | 0.251 ± 0.251 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1928 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-976a33d5-2_1 |
|
−2.1 ± 0.5 |
|
|
|
|||
