Compound ID | EN300-6494158_1 |
ΔG / kcal M-1 | −13.5 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN2123 | MAT-POS-8a69d52e-7_1 | EN300-6494158_1_4 | −3.0 ± 0.3 | ||||||||
RUN1868 | MAT-POS-8a69d52e-7_1 | EN300-6494158_1_2 | −2.5 ± 0.4 | ||||||||
RUN2550 | MAT-POS-8a69d52e-7_1 | EN300-6494158_1_1 | −1.9 ± 0.3 |