UCSF

ZINC16125150

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 12 Yes

Popular Name: 6-Methoxyisoquinoline 6-Methoxyisoquinoline

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CAS Numbers: 42923-77-3 , 52986-70-6 , 915865-96-2 , [52986-70-6] , [915865-96-2]

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) 2.08 4.3 -6.5 0 2 0 22 159.188 1 ↓
Lo Low (pH 4.5-6) 2.08 4.57 -33.73 1 2 1 23 160.196 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% )