| Compound ID | EDJ-MED-ee07cf00-14 |
| ΔG / kcal M-1 | −7.61 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | 5.559458216017196 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN596 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-ee07cf00-14_1 |
|
1.9 ± 0.7 |
|
|
||||