| Compound ID | DAR-DIA-6a508060-3 |
| ΔG / kcal M-1 | −8.58 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN26 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-3_1 |
|
−0.15 ± 0.05 |
|
|
||||