| Compound ID | EDJ-MED-28ec730d-4 |
| ΔG / kcal M-1 | −10.6 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN653 | PET-UNK-29afea89-2_1 |
|
EDJ-MED-28ec730d-4_1 |
|
−3.9 ± 0.3 |
|
|
||||