Hydrogen Fluoride (Predicted)

Basic Info

FADB-China IDP0584
Molecular NameHydrogen Fluoride
Basis for prediction Sulphur
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.0000
Similarity (based on Tanimoto coefficient and Daylight fingerprint)1.0000
Similarity (based on MCS)None
2D StructureNo image
SMILESF
CFM-ID 3.0 (Copy SMILES to the website's input box)URL Link
Update DateJul 30, 2019 14:16

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9839
Human Intestinal AbsorptionHIA+0.9951
Caco-2 PermeabilityCaco2+0.7367
P-glycoprotein SubstrateNon-substrate0.8941
P-glycoprotein InhibitorNon-inhibitor0.9667
Non-inhibitor0.9817
Renal Organic Cation TransporterNon-inhibitor0.9208
Distribution
Subcellular localizationLysosome0.5125
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8433
CYP450 2D6 SubstrateNon-substrate0.7372
CYP450 3A4 SubstrateNon-substrate0.8004
CYP450 1A2 InhibitorNon-inhibitor0.7842
CYP450 2C9 InhibitorNon-inhibitor0.9128
CYP450 2D6 InhibitorNon-inhibitor0.9632
CYP450 2C19 InhibitorNon-inhibitor0.9306
CYP450 3A4 InhibitorNon-inhibitor0.9719
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9115
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9713
Non-inhibitor0.9598
AMES ToxicityNon AMES toxic0.8490
CarcinogensCarcinogens 0.7612
Fish ToxicityLow FHMT0.5943
Tetrahymena Pyriformis ToxicityHigh TPT0.7847
Honey Bee ToxicityHigh HBT0.8319
BiodegradationNot ready biodegradable0.8276
Acute Oral ToxicityIII0.6906
Carcinogenicity (Three-class)Warning0.4752

ADMET -- Regression

Model Value Unit
Aqueous solubility-0.4577LogS
Caco-2 Permeability1.6262LogPapp, cm/s
Rat Acute Toxicity2.3213LD50, mol/kg
Fish Toxicity0.9633pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.1575pIGC50, ug/L

References

TitleData Sources
Source HPV EPA Chemicals, T3DB, OECD HPV Chemicals, OSHA Hazardous Chemicals
PubChem LinkURL Link