UCSF

ZINC04581542

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 14 Yes

Popular Name: 3-(1H-Tetrazol-5-yl)-benzoic acid 3-(1H-Tetrazol-5-yl)-benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73096-39-6 , 898404-67-6

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) 1.25 2.46 -98.22 0 6 -2 93 188.146 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 260 - 262 Enamine Building Blocks
MP 260...262 Enamine Building Blocks
Melting_Point 284-286? Alfa-Aesar
Melting_Point 284-286° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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