| Compound ID | BAR-COM-ebf5acce-13 |
| ΔG / kcal M-1 | −2.7 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN51 | ADA-UCB-6c2cb422-1_1 |
|
BAR-COM-ebf5acce-13_1 |
|
5.3 ± 0.3 |
|
|
||||