Compound ID | MAT-POS-11b63608-1 |
ΔG / kcal M-1 | −9.43 ± 0.06 |
IC50 / µM | TBD |
pIC50 | 6.07012000323875 |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN39 | MAT-POS-b3e365b9-1_1 | MAT-POS-11b63608-1_1 | 0.02 ± 0.05 |