| Compound ID | BEN-DND-a7517465-5 |
| ΔG / kcal M-1 | −11.1 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1481 | PET-UNK-29afea89-2_1 |
|
BEN-DND-a7517465-5_1 |
|
−4.4 ± 0.3 |
|
|
||||