| Compound ID | EDJ-MED-ee07cf00-12 |
| ΔG / kcal M-1 | −7.38 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 5.51816219896223 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN610 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-ee07cf00-12_1 |
|
−1.7 ± 0.3 |
|
|
||||
| RUN615 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-ee07cf00-12_2 |
|
1.0 ± 0.3 |
|
|
||||