UCSF

ZINC71251219

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2011 8 Yes

Popular Name: 2,4-DIMETHYLHEXANE 2,4-DIMETHYLHEXANE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105-41-9 , 589-43-5

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.59 6.13 0.07 0 0 0 0 114.232 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 109 TCI
PUBCHEM_PATENT_ID EP0122203A1; EP0128010A2; EP0170624A2; EP0171200A2; EP0173470A2; EP0173470B1; EP0173472A2; EP0180548A2; EP0186322A2; EP0193892A2; EP0208426A2; EP0208524A1; EP0250212A1; EP0264169A1; EP0312314A1; EP0405487A1; EP0418591A2; EP0418591B1; EP0489480A1; EP060247 IBM Patent Data
PUBCHEM_PATENT_ID WO1997042168A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.