Compound ID | DAR-DIA-6a508060-13 |
ΔG / kcal M-1 | −8.6 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN28 | MAT-POS-b3e365b9-1_1 | DAR-DIA-6a508060-13_2 | 0.7 ± 0.3 | ||||||||
RUN99 | MAT-POS-b3e365b9-1_1 | DAR-DIA-6a508060-13_1 | 4.5 ± 0.3 |