Compound ID | EN300-208959_2 |
ΔG / kcal M-1 | −10.1 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN3759 | MAT-POS-8a69d52e-7_1 | EN300-208959_2_2 | −4.0 ± 0.2 | ||||||||
RUN3519 | MAT-POS-8a69d52e-7_1 | EN300-208959_2_4 | −2.2 ± 0.3 | ||||||||
RUN8285 | MAT-POS-8a69d52e-7_1 | EN300-208959_2_3 | 8.2 ± 0.2 | ||||||||
RUN8678 | MAT-POS-8a69d52e-7_1 | EN300-208959_2_1 | 8.6 ± 0.3 |