EN300-05512_1

molecule

Data

Compound ID EN300-05512_1
ΔG / kcal M-1 −13.6 ± 0.4
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN767 MAT-POS-8a69d52e-7_1 molecule EN300-05512_1_2 molecule −3.0 ± 0.4 work distributions convergence plot
RUN815 MAT-POS-8a69d52e-7_1 molecule EN300-05512_1_1 molecule −1.3 ± 0.6 work distributions convergence plot
Last updated 2020-11-14T17:51:53.001105+00:00
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