| Compound ID | RAL-THA-1d44ff04-7 |
| ΔG / kcal M-1 | −10.2 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN441 | PET-UNK-29afea89-2_1 |
|
RAL-THA-1d44ff04-7_1 |
|
−3.5 ± 0.4 |
|
|
||||