UCSF

ZINC12359320

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 14 Yes

Popular Name: 4-(1H-Tetrazol-5-yl)benzoic acid 4-(1H-Tetrazol-5-yl)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34114-12-0 , [34114-12-0]

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) 1.28 2.5 -88.21 0 6 -2 93 188.146 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 282 - 284 Enamine Building Blocks
MP 282...284 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Matrix Scientific
Purity 97% 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.