UCSF

ZINC06920381

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 28 No

Popular Name: Hexacosanoic Acid Hexacosanoic Acid

Find On: PubMed — Wikipedia — Google

CAS Number: 506-46-7

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) 9.63 20.8 -43.03 0 2 -1 40 395.692 24 ↓
Lo Low (pH 4.5-6) 9.63 18.82 -4.71 1 2 0 37 396.7 24 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 250 Acros Organics
Mp [°C] 87 - 89 Acros Organics
Melting_Point 87-89? Alfa-Aesar
UniProt Database Links A85A_MYCAV; A85A_MYCBO; A85A_MYCBP; A85A_MYCGO; A85A_MYCLE; A85A_MYCMR; A85A_MYCTU; A85A_MYCUL; ELOV4_HUMAN; ELOV7_HUMAN; FAC13_MYCTU; FACR3_ARATH; S27A4_MOUSE; SUD1_ARATH; TGS1_MYCTU ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2004122094; US2004124397 ChEBI

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