Compound ID | EN300-21009_1 |
ΔG / kcal M-1 | −9.9 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN4990 | MAT-POS-8a69d52e-7_1 | EN300-21009_1_2 | −3.7 ± 0.3 | ||||||||
RUN4986 | MAT-POS-8a69d52e-7_1 | EN300-21009_1_2 | −2.9 ± 0.3 |