| Compound ID | PET-UNK-bbe8d7ff-2 |
| ΔG / kcal M-1 | −2.9 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN945 | ADA-UCB-6c2cb422-1_1 |
|
PET-UNK-bbe8d7ff-2_1 |
|
5.2 ± 0.3 |
|
|
||||