| Compound ID | ERI-UCB-ce40166b-4 |
| ΔG / kcal M-1 | −11.4 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN39 | PET-UNK-29afea89-2_1 |
|
ERI-UCB-ce40166b-4_1 |
|
−4.7 ± 0.2 |
|
|
||||