UCSF

ZINC04935116

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 18 Yes

Popular Name: 2-methyl-3-[(3-pyridinylmethyl)amino]benzoic acid 2-methyl-3-[(3-pyridinylmethyl)a…

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CAS Numbers: 878714-39-7 , [878714-39-7]

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) 1.88 6.62 -53.39 1 4 -1 65 241.27 4 ↓
Lo Low (pH 4.5-6) 1.88 7.09 -76.13 2 4 0 66 242.278 4 ↓

Vendor Notes

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

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