Compound ID | MAK-UNK-8be7dca9-6 |
ΔG / kcal M-1 | −10.5 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN136 | MAT-POS-8a69d52e-7_1 | MAK-UNK-8be7dca9-6_1 | −2.7 ± 0.1 | ||||||||
RUN137 | MAT-POS-8a69d52e-7_1 | MAK-UNK-8be7dca9-6_1 | −2.5 ± 0.2 |