| Compound ID | MIC-UNK-50cce87d-2 |
| ΔG / kcal M-1 | −8.77 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1077 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-50cce87d-2_1 |
|
−1.08 ± 0.10 |
|
|
||||