JOH-MSK-949975c8-1

molecule

Metadata

Compound ID JOH-MSK-949975c8-1

Computed quantities

ΔG / kcal M-1 −9.0 ± 0.3
pIC50 6.6 ± 0.2

Experimental data

ΔG / kcal M-1 TBD
pIC50 TBD
IC50 / µM TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN670 VLA-UCB-50c39ae8-2_1 molecule JOH-MSK-949975c8-1_2 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
Last updated 2022-01-14T14:40:20.529952+00:00
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