| Compound ID | MIC-UNK-67d4a29a-3 |
| ΔG / kcal M-1 | −10.1 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1247 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-67d4a29a-3_1 |
|
−2.5 ± 0.5 |
|
|
||||