UCSF

ZINC00401194

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: 6,7-Dimethoxyisoquinoline 6,7-Dimethoxyisoquinoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15248-39-2 , [15248-39-2]

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) 1.67 4.24 -7.76 0 3 0 31 189.214 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 158 / 0.9 TCI
MP 94 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO2000029380A1 IBM Patent Data

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