JAN-GHE-83b26c96-8

molecule

Data

Compound ID JAN-GHE-83b26c96-8
ΔG / kcal M-1 −6.68 ± 0.09
IC50 / µM TBD
pIC50 4.761694261068177

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN759 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-8_1 molecule −2.7 ± 0.3 work distributions convergence plot
RUN761 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-8_2 molecule 1.6 ± 0.4 work distributions convergence plot
Last updated 2021-06-16T15:18:23.370261+00:00
Generated by fah-xchem version pre-sprint-5+76.g1ae3402.dirty