| Compound ID | EDJ-MED-ee07cf00-18 |
| ΔG / kcal M-1 | −7.44 ± 0.08 |
| IC50 / µM | TBD |
| pIC50 | 5.629345820223036 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN608 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-ee07cf00-18_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN606 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-ee07cf00-18_1 |
|
−0.0 ± 0.4 |
|
|
||||