| Compound ID | MAK-UNK-c749d764-11 |
| ΔG / kcal M-1 | −17.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN949 | PET-UNK-29afea89-2_1 |
|
MAK-UNK-c749d764-11_1 |
|
−11.0 ± 0.2 |
|
|
||||