MIC-UNK-50cce87d-8

molecule

Data

Compound ID MIC-UNK-50cce87d-8
ΔG / kcal M-1 −13.3 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN554 MAT-POS-b3e365b9-1_1 molecule MIC-UNK-50cce87d-8_2 molecule −4.9 ± 0.3 work distributions convergence plot
RUN558 MAT-POS-b3e365b9-1_1 molecule MIC-UNK-50cce87d-8_1 molecule −1.5 ± 0.2 work distributions convergence plot
Last updated 2021-01-31T08:31:34.705671+00:00
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