| Compound ID | FRA-DIA-b66f7109-3 |
| ΔG / kcal M-1 | −13.3 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN164 | MAT-POS-8a69d52e-7_1 |
|
FRA-DIA-b66f7109-3_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN167 | MAT-POS-8a69d52e-7_1 |
|
FRA-DIA-b66f7109-3_1 |
|
−1.0 ± 0.3 |
|
|
||||