| Compound ID | DAR-DIA-076fb6ea-9 |
| ΔG / kcal M-1 | −9.5 ± 0.6 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN473 | ADA-UCB-6c2cb422-1_1 |
|
DAR-DIA-076fb6ea-9_2 |
|
−1.3 ± 0.6 |
|
|
||||
| RUN476 | ADA-UCB-6c2cb422-1_1 |
|
DAR-DIA-076fb6ea-9_1 |
|
0.9 ± 0.7 |
|
|
||||