| Compound ID | PET-UNK-7be94445-2 |
| 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 | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN42 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-7be94445-2_1 |
|
−2.2 ± 0.3 |
|
|
||||