| Compound ID | JIN-POS-6dc588a4-14 |
| ΔG / kcal M-1 | −7.53 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 5.721944247705526 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN634 | ADA-UCB-6c2cb422-1_1 |
|
JIN-POS-6dc588a4-14_1 |
|
1.5 ± 0.2 |
|
|
||||