EN300-297561_1

molecule

Data

Compound ID EN300-297561_1
ΔG / kcal M-1 −12.7 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN3650 MAT-POS-b3e365b9-1_1 molecule EN300-297561_1_2 molecule −3.6 ± 0.3 work distributions convergence plot
RUN6563 MAT-POS-b3e365b9-1_1 molecule EN300-297561_1_1 molecule −2.3 ± 0.3 work distributions convergence plot
Last updated 2020-12-30T07:47:12.028394+00:00
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