| Compound ID | JAN-GHE-f4ca5a00-17 |
| ΔG / kcal M-1 | −10.44 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN894 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-f4ca5a00-17_1 |
|
−2.59 ± 0.10 |
|
|
||||