| Compound ID | PET-UNK-94036022-12 |
| ΔG / kcal M-1 | −5.4 ± 1.0 |
| pIC50 | 3.9 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN465 | MAT-POS-c7726e07-5_1 |
|
PET-UNK-94036022-12_1 |
|
2.2 ± 1.0 |
|
|
|
|||
