Other parameters (not necessarily related to REACH)

This list is not intended to be exhaustive but rather indicative because the development of new models (and the refinement of existing ones) is carried out continuously and progressively. Likewise, we can generate new models based on the proposals of our clients and the available data for their development.

Physico-chemical properties

  • Solubility in water of drug-like compounds.
  • Alkanes: Boiling Point.
  • Organic solvents: Flash Point, boiling Point, density, dielectric constan, dipole moment, elutropic factor, magnetic susceptibility, refractive index, surface tensión, UV Cutoff, Viscosity.
  • Pharmaceuticals and pesticides: chemiluminescent behavior.
  • Linear polymers: Glass transition temperatures (Tg), refractive indices (Nr).
  • Organic solvents: solubility.
  • Chromatographic Properties (Retention factor, Rf).
  • Surface Tension Σ.
  • Thermal Conductivity Λ.
  • Viscosity (organic solvents).

Pharmacokinetic properties

  • Human intestinal absorption (drugs).
  • Intestinal permeability of drug-like compounds (Caco-2 cells).
  • Time necessary to reach maximum concentration in blood of analgesics, antihistaminics and antibacterials.
  • Distribution half-life of analgesics and betablockers.
  • Unchanged drug in urine (analgesics and antivirals).

Pharmacological activities

  • Analgesic (non-narcotic and COX inhibition).
  • Anti-allergic.
  • Antibacterial.
  • Anticonvulsant.
  • Antifungal.
  • Antihistaminic.
  • Anti-inflammatory (COX-2 inhibition).
  • Antimalarial (general and specific models for cyclic-peroxy cetals and phospholipds).
  • Anti-Mycobacterium avium complex (general and specific model for quinolones).
  • Anti-Mycobacterium tuberculosis.
  • Anti-Toxoplasma gondii (general and specific model for quinolones).
  • Anti-Trichomonas.
  • Antiviral (general and specific anti-herpes model).
  • Betablocker.
  • Bronchodilator.
  • Cytostatic.
  • Hypoglycemic

Other biological properties

  • GPCRs affinity.
  • CNS Activity (including passage through the blood brain barrier).
  • LOAEL Lowest observed adverse effect level.
  • Toxicity – cytochrome P-450 activity induction by – polychloro dibenzo-p-dioxins and polychloro dibenzofurans.
  • Insect growth regulator.
  • Insecticide.