| Compound ID | PET-UNK-94036022-6 |
| ΔG / kcal M-1 | −3 ± 1 |
| pIC50 | 2.5 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN754 | MAT-POS-c7726e07-5_1 |
|
PET-UNK-94036022-6_1 |
|
4 ± 1 |
|
|
|
|||
