| Compound ID | DAR-DIA-076fb6ea-6 |
| ΔG / kcal M-1 | −9.19 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN465 | ADA-UCB-6c2cb422-1_1 |
|
DAR-DIA-076fb6ea-6_1 |
|
−1.47 ± 0.10 |
|
|
||||