TRY-UNI-714a760b-18

molecule

Data

Compound ID TRY-UNI-714a760b-18
ΔG / kcal M-1 −5.89 ± 0.08
IC50 / µM TBD
pIC50 4.582036368084879

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN804 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-714a760b-18_2 molecule 2.4 ± 0.3 work distributions convergence plot
RUN800 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-714a760b-18_1 molecule 3.3 ± 0.3 work distributions convergence plot
Last updated 2021-08-10T10:58:02.211630+00:00
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