| Compound ID | PET-UNK-8df914d1-4 |
| ΔG / kcal M-1 | −7.76 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 4.027408767344558 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN956 | ADA-UCB-6c2cb422-1_1 |
|
PET-UNK-8df914d1-4_1 |
|
−2.03 ± 0.09 |
|
|
||||