EN300-46832_1

molecule

Data

Compound ID EN300-46832_1
ΔG / kcal M-1 −13.2 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN647 MAT-POS-8a69d52e-7_1 molecule EN300-46832_1_1 molecule −2.4 ± 0.3 work distributions convergence plot
RUN479 MAT-POS-8a69d52e-7_1 molecule EN300-46832_1_2 molecule −2.1 ± 0.3 work distributions convergence plot
Last updated 2020-11-12T09:06:09.328518+00:00
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