| Compound ID | EDG-MED-0da5ad92-5 |
| ΔG / kcal M-1 | −5.2 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN883 | ADA-UCB-6c2cb422-1_1 |
|
EDG-MED-0da5ad92-5_2 |
|
2.6 ± 0.3 |
|
|
||||
| RUN887 | ADA-UCB-6c2cb422-1_1 |
|
EDG-MED-0da5ad92-5_1 |
|
3.7 ± 0.7 |
|
|
||||