Compound ID | EN300-1968342_2 |
ΔG / kcal M-1 | −14.9 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1833 | MAT-POS-8a69d52e-7_1 | EN300-1968342_2_1 | −2.7 ± 0.3 | ||||||||
RUN1825 | MAT-POS-8a69d52e-7_1 | EN300-1968342_2_1 | −2.3 ± 0.3 | ||||||||
RUN1873 | MAT-POS-8a69d52e-7_1 | EN300-1968342_2_2 | −1.8 ± 0.4 | ||||||||
RUN1865 | MAT-POS-8a69d52e-7_1 | EN300-1968342_2_2 | −0.9 ± 0.4 |