AGN-NEW-c7b24fe3-4

molecule

Data

Compound ID AGN-NEW-c7b24fe3-4
ΔG / kcal M-1 −4.4 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN808 ADA-UCB-6c2cb422-1_1 molecule AGN-NEW-c7b24fe3-4_1 molecule 4.2 ± 0.3 work distributions convergence plot
Last updated 2021-08-10T10:58:02.211630+00:00
Generated by fah-xchem version pre-sprint-5+82.gd86d0bd.dirty