| Compound ID | MAT-POS-f7918075-5 |
| ΔG / kcal M-1 | −8.84 ± 0.05 |
| IC50 / µM | TBD |
| pIC50 | 5.369240318847122 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN269 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-f7918075-5_1 |
|
−0.13 ± 0.04 |
|
|
||||