| Compound ID | EDJ-MED-50fe53e8-1 |
| ΔG / kcal M-1 | −6.39 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 4.664514518836852 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN184 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-50fe53e8-1_1 |
|
3.9 ± 0.3 |
|
|
||||