PET-UNK-12d8d43f-1

molecule

Data

Compound ID PET-UNK-12d8d43f-1
ΔG / kcal M-1 −8.0 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1309 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-12d8d43f-1_1 molecule −0.5 ± 0.1 work distributions convergence plot
Last updated 2021-11-12T06:11:06.748777+00:00
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