| Compound ID | MIC-UNK-50cce87d-1 |
| ΔG / kcal M-1 | −8.15 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 5.8840461459711975 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN344 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-50cce87d-1_1 |
|
−0.18 ± 0.10 |
|
|
||||