UCSF

ZINC00129384

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 14 Yes

Popular Name: 2-(1H-Tetrazol-5-yl)-benzoic acid 2-(1H-Tetrazol-5-yl)-benzoic acid

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CAS Numbers: 1131615-12-7 , 13947-58-5 , [13947-58-5]

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) 0.89 3.05 -121.91 0 6 -2 93 188.146 2 ↓
Lo Low (pH 4.5-6) 0.89 3.79 -62.73 1 6 -1 95 189.154 2 ↓

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% )

No pre-computed analogs available. Try a structural similarity search.