PET-UNK-c9c1e0d8-3

molecule

Data

Compound ID PET-UNK-c9c1e0d8-3
ΔG / kcal M-1 −8.43 ± 0.06
IC50 / µM TBD
pIC50 5.94252356975962

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN33 MAT-POS-b3e365b9-1_1 molecule PET-UNK-c9c1e0d8-3_2 molecule −4.2 ± 0.3 work distributions convergence plot
RUN35 MAT-POS-b3e365b9-1_1 molecule PET-UNK-c9c1e0d8-3_1 molecule −3.6 ± 0.2 work distributions convergence plot
Last updated 2021-01-31T06:48:31.441089+00:00
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