| Compound ID | JIN-POS-6dc588a4-13 |
| ΔG / kcal M-1 | −8.13 ± 0.04 |
| IC50 / µM | TBD |
| pIC50 | 6.050823862411883 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1439 | ADA-UCB-6c2cb422-1_1 |
|
JIN-POS-6dc588a4-13_1 |
|
0.09 ± 0.03 |
|
|
||||