EN300-332453_1

molecule

Data

Compound ID EN300-332453_1
ΔG / kcal M-1 −13.8 ± 0.6
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN297 MAT-POS-8a69d52e-7_1 molecule EN300-332453_1_2 molecule −0.4 ± 0.5 work distributions convergence plot
RUN273 MAT-POS-8a69d52e-7_1 molecule EN300-332453_1_3 molecule 2.3 ± 0.6 work distributions convergence plot
Last updated 2020-11-10T02:14:29.618973+00:00
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