ALP-POS-3b848b35-2

molecule

Data

Compound ID ALP-POS-3b848b35-2
ΔG / kcal M-1 −8.56 ± 0.08
IC50 / µM TBD
pIC50 6.56266723666304

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN43 MAT-POS-b3e365b9-1_1 molecule ALP-POS-3b848b35-2_1 molecule −0.2 ± 0.4 work distributions convergence plot
RUN37 MAT-POS-b3e365b9-1_1 molecule ALP-POS-3b848b35-2_2 molecule 0.5 ± 0.3 work distributions convergence plot
Last updated 2021-01-31T06:48:31.441089+00:00
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