| Compound ID | EDJ-MED-ee07cf00-13 |
| ΔG / kcal M-1 | −8.0 ± 0.6 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN582 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-ee07cf00-13_1 |
|
−0.5 ± 0.6 |
|
|
||||
| RUN583 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-ee07cf00-13_2 |
|
4.2 ± 0.3 |
|
|
||||