UCSF

ZINC14986064

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 Yes

Popular Name: 6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one 6-Methoxy-3,4-dihydroisoquinolin…

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CAS Numbers: 22246-12-4 , [22246-12-4]

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) 1.16 2.26 -9.68 1 3 0 38 177.203 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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