| Compound ID | RAL-THA-2d450e86-19 |
| ΔG / kcal M-1 | −7.83 ± 0.05 |
| IC50 / µM | TBD |
| pIC50 | 4.627899275958984 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN557 | ADA-UCB-6c2cb422-1_1 |
|
RAL-THA-2d450e86-19_1 |
|
0.27 ± 0.05 |
|
|
||||