JAN-GHE-5a013bed-7

molecule

Data

Compound ID JAN-GHE-5a013bed-7
ΔG / kcal M-1 −6.6 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN63 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-7_1 molecule 1.3 ± 0.3 work distributions convergence plot
Last updated 2021-07-29T00:38:39.498831+00:00
Generated by fah-xchem version pre-sprint-5+76.g1ae3402.dirty