EN300-01527_2

molecule

Data

Compound ID EN300-01527_2
ΔG / kcal M-1 −11.1 ± 0.4
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN594 MAT-POS-b3e365b9-1_1 molecule EN300-01527_2_2 molecule −2.1 ± 0.4 work distributions convergence plot
RUN546 MAT-POS-b3e365b9-1_1 molecule EN300-01527_2_1 molecule 0.3 ± 0.3 work distributions convergence plot
Last updated 2020-12-15T14:00:57.687582+00:00
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