Compound ID | MAK-UNK-8be7dca9-5 |
ΔG / kcal M-1 | −13.2 ± 0.1 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN91 | MAT-POS-8a69d52e-7_1 | MAK-UNK-8be7dca9-5_1 | −2.7 ± 0.1 | ||||||||
RUN130 | MAT-POS-8a69d52e-7_1 | MAK-UNK-8be7dca9-5_2 | −0.3 ± 0.2 |