| Compound ID | EDJ-MED-00c1612e-1 |
| ΔG / kcal M-1 | −8.12 ± 0.08 |
| IC50 / µM | TBD |
| pIC50 | 6.0468202029059555 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN988 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-00c1612e-1_1 |
|
−0.3 ± 0.1 |
|
|
||||