| Compound ID | ALP-UNI-3496895b-10 |
| ΔG / kcal M-1 | −9.9 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2532 | PET-UNK-29afea89-2_1 |
|
ALP-UNI-3496895b-10_1 |
|
−3.2 ± 0.4 |
|
|
||||