| Compound ID | JAN-GHE-83b26c96-22 |
| ΔG / kcal M-1 | −5.43 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | 4.013504510022682 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN31 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-22_1 |
|
4.3 ± 0.5 |
|
|
||||