UCSF

ZINC05773679

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 17 Yes

Popular Name: 2-(benzylamino)nicotinic acid 2-(benzylamino)nicotinic acid

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CAS Numbers: 33522-80-4 , [33522-80-4]

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) 1.82 6.56 -47.52 2 4 0 66 228.251 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 233-234° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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