UCSF

ZINC02563821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 Yes

Popular Name: 3-Pyridin-2-yl-benzoic acid 3-Pyridin-2-yl-benzoic acid

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CAS Numbers: 4467-07-6 , [4467-07-6]

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) 2.47 0.52 -59.93 0 3 -1 53 198.201 2 ↓
Lo Low (pH 4.5-6) 2.47 0.65 -62.23 1 3 0 54 199.209 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
melting_point Solid KeyOrganics

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