| Compound ID | MIC-UNK-08cd9c58-1 |
| ΔG / kcal M-1 | −8.09 ± 0.05 |
| IC50 / µM | TBD |
| pIC50 | 4.173197487653821 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1017 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-08cd9c58-1_1 |
|
1.10 ± 0.04 |
|
|
||||