| Compound ID | FRA-DIA-13af2da5-2 |
| ΔG / kcal M-1 | −11.5 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN168 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-13af2da5-2_1 |
|
−3.2 ± 0.2 |
|
|
||||