UCSF

ZINC00163922

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: Metronidazole Benzoate Metronidazole Benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13182-89-3 , [13182-89-3]

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) 1.96 9.96 -12.04 0 7 0 90 275.264 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
mechanism Aldehyde dehydrogenase inhibitor IBScreen Bioactives
biological_use Antiprotozoal, antibacterial and amoebicidal agent IBScreen Bioactives IBScreen Bioactives
Purity BP2000 APIChem
biological_use Protozoacide IBScreen Bioactives
Patent Database Links WO2007113830 ChEBI

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

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