UCSF

ZINC00198540

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 Yes

Popular Name: 3-(1H-Tetrazol-1-yl)benzoic acid 3-(1H-Tetrazol-1-yl)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 204196-80-5 , 3217-15-0 , [204196-80-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.69 5.22 -57.24 0 6 -1 84 189.154 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 168 - 170 Enamine Building Blocks
MP 181-182° Matrix Scientific
MP 185 - 187 Enamine Building Blocks
MP 185...187 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.