Extended Data Fig. 1: Correlation between pharmacokinetic properties and live cell performance of selected substrates.

QikProp (QP) Descriptors were calculated for non-fluorescent acetylated substrates using Schrödinger Maestro 12.3 software, regarding their: a, octanol/water partition coefficient (QP logP o/w), b, apparent MDCK cell permeability (QP PMDCK) and c, aqueous solubility (logS) and correlated to the experimentally determined performance of their corresponding TMR-derivatives in live cells. Computed parameters of the acetylated substrates can be found in Supplementary Table 2.