| Compound ID | PET-UNK-c9c1e0d8-2 |
| ΔG / kcal M-1 | −6.97 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 5.0276419604968 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN41 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-c9c1e0d8-2_1 |
|
0.6 ± 0.3 |
|
|
||||