UCSF

ZINC01296708

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 11 Yes

Popular Name: 2-Methyl-[1,8]naphthyridine 2-Methyl-[1,8]naphthyridine

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CAS Numbers: 1569-16-0 , [1569-16-0]

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) 1.40 4.54 -12.21 0 2 0 26 144.177 0 ↓
Lo Low (pH 4.5-6) 1.40 4.84 -30.94 1 2 1 27 145.185 0 ↓
Lo Low (pH 4.5-6) 1.40 4.81 -28.07 1 2 1 27 145.185 0 ↓
Lo Low (pH 4.5-6) 1.40 5.12 -91.48 2 2 2 28 146.193 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 91-93? Alfa-Aesar
Melting_Point 91-93° Alfa-Aesar
MP 96-97° Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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