Compound ID | DAR-DIA-23e5a6a0-8 |
ΔG / kcal M-1 | −12.8 ± 0.4 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN180 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-8_1 | 0.0 ± 0.3 | ||||||||
RUN199 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-8_2 | 1.6 ± 0.4 |