| Compound ID | JIN-POS-6dc588a4-22 |
| ΔG / kcal M-1 | −8.19 ± 0.08 |
| IC50 / µM | TBD |
| pIC50 | 6.372053754977971 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN654 | ADA-UCB-6c2cb422-1_1 |
|
JIN-POS-6dc588a4-22_1 |
|
1.2 ± 0.2 |
|
|
||||