EN300-261210_3

molecule

Data

Compound ID EN300-261210_3
ΔG / kcal M-1 −9.7 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN7335 MAT-POS-8a69d52e-7_1 molecule EN300-261210_3_2 molecule −3.2 ± 0.3 work distributions convergence plot
RUN8840 MAT-POS-8a69d52e-7_1 molecule EN300-261210_3_1 molecule −2.2 ± 0.3 work distributions convergence plot
Last updated 2020-12-05T13:56:57.723963+00:00
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