Compound ID | EN300-225012_1 |
ΔG / kcal M-1 | −10.3 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN7040 | MAT-POS-8a69d52e-7_1 | EN300-225012_1_1 | −4.5 ± 0.2 | ||||||||
RUN7044 | MAT-POS-8a69d52e-7_1 | EN300-225012_1_1 | −3.4 ± 0.2 |