| Compound ID | RAL-THA-2d450e86-20 |
| ΔG / kcal M-1 | −8.06 ± 0.08 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN551 | ADA-UCB-6c2cb422-1_1 |
|
RAL-THA-2d450e86-20_1 |
|
0.52 ± 0.07 |
|
|
||||