UCSF

ZINC06920384

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 23 No

Popular Name: Docosanol Docosanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 30303-65-2 , 661-19-8

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) 8.45 0.86 -2 1 1 0 20 326.609 20 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.96e-05 g/l DrugBank-approved
Mp [°C] 68 - 72 Acros Organics
therap antiviral MicroSource Spectrum
PUBCHEM_PATENT_ID EP0815843A1 IBM Patent Data
Patent Database Links EP0964029; EP1557167; EP1757261; US2003022936; US2003120095; US2005033027; US2006263323; US2008292585; WO2005108383; WO2007129952 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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