UCSF

ZINC00404370

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 13 Yes

Popular Name: (E)-1,2-Dimethoxy-4-(prop-1-en-1-yl)benzene (E)-1,2-Dimethoxy-4-(prop-1-en-1…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6379-72-2 , 6380-24-1 , 93-16-3 , [93-16-3]

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) 2.69 2.31 -6.13 0 2 0 18 178.231 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.056 Bitter DB
BP 264 TCI
Purity 98% Fluorochem
UniProt Database Links AIMT1_PIMAN; CVMT1_OCIBA; EOMT1_OCIBA; IEMT_CLABR; OMT1_SORBI ChEBI
Patent Database Links US2007218016; WO2007106049 ChEBI

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