We study the influence of polarity on the binding and diffusion of single conjugated organic molecules on the inorganic (1010) zinc oxide surface by means of all-atom molecular dynamics simulations at room temperature and above. In particular, we consider the effects of partial fluorination of the para-sexiphenyl (p-6P) molecule with chemical modifications of one head group (p-6P2F) or both (symmetric) head and tail (p-6P4F). Quantum-mechanical and classical simulations both result in consistent and highly distinct dipole moments and densities of the fluorinated molecules, which interestingly lead to a weaker adhesion to the surface than for p-6P. The diffusion for all molecules is found to be normal and Arrhenius-like for long times. Intriguingly, close to room temperature, the polar molecules diffuse 1–2 orders of magnitude slower compared to the p-6P reference in the apolar x-direction of the electrostatically heterogeneous surface, whereas in the polar y-direction, they diffuse 1–2 orders of magnitud...