| Compound ID | TRY-UNI-714a760b-6 |
| ΔG / kcal M-1 | −6.29 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | 4.609654606067285 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN801 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-714a760b-6_1 |
|
2.7 ± 0.3 |
|
|
||||