Compound ID | EN300-6482296_1 |
ΔG / kcal M-1 | −9.7 ± 0.1 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN5730 | MAT-POS-8a69d52e-7_1 | EN300-6482296_1_7 | −3.6 ± 0.3 | ||||||||
RUN9485 | MAT-POS-8a69d52e-7_1 | EN300-6482296_1_6 | −3.3 ± 0.2 | ||||||||
RUN8476 | MAT-POS-8a69d52e-7_1 | EN300-6482296_1_4 | −3.0 ± 0.3 | ||||||||
RUN3538 | MAT-POS-8a69d52e-7_1 | EN300-6482296_1_5 | −2.5 ± 0.2 | ||||||||
RUN3482 | MAT-POS-8a69d52e-7_1 | EN300-6482296_1_2 | −2.5 ± 0.2 | ||||||||
RUN8785 | MAT-POS-8a69d52e-7_1 | EN300-6482296_1_1 | −2.2 ± 0.3 | ||||||||
RUN2309 | MAT-POS-8a69d52e-7_1 | EN300-6482296_1_8 | −1.7 ± 0.3 | ||||||||
RUN9613 | MAT-POS-8a69d52e-7_1 | EN300-6482296_1_3 | −1.2 ± 0.2 |