| Compound ID | JAN-GHE-5a013bed-2 |
| ΔG / kcal M-1 | −8.56 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 5.080740482421092 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN52 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-5a013bed-2_1 |
|
−2.9 ± 0.1 |
|
|
||||