TRY-UNI-714a760b-18

molecule

Data

Compound ID TRY-UNI-714a760b-18
ΔG / kcal M-1 −5.98 ± 0.07
IC50 / µM TBD
pIC50 4.582036368084879

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN737 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-714a760b-18_1 molecule 1.6 ± 0.3 work distributions convergence plot
RUN741 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-714a760b-18_2 molecule 2.0 ± 0.3 work distributions convergence plot
Last updated 2021-06-16T14:30:16.093137+00:00
Generated by fah-xchem version pre-sprint-5+73.g81e3639.dirty