EN300-67023_2

molecule

Data

Compound ID EN300-67023_2
ΔG / kcal M-1 −14.5 ± 0.5
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN997 MAT-POS-8a69d52e-7_1 molecule EN300-67023_2_1 molecule 1.8 ± 0.7 work distributions convergence plot
RUN878 MAT-POS-8a69d52e-7_1 molecule EN300-67023_2_2 molecule 2.9 ± 0.6 work distributions convergence plot
Last updated 2020-11-10T02:14:29.618973+00:00
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