| Compound ID | EDJ-MED-976da9a6-1 |
| ΔG / kcal M-1 | −6.92 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 4.925017383069599 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN998 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-976da9a6-1_1 |
|
2.6 ± 0.2 |
|
|
||||