| Compound ID | MAT-POS-a13804f0-3 |
| ΔG / kcal M-1 | −9.82 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 7.010149942884727 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3484 | PET-UNK-29afea89-2_1 |
|
MAT-POS-a13804f0-3_1 |
|
−3.9 ± 0.2 |
|
|
||||