UCSF

ZINC34383779

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 Yes

Popular Name: Ethyl 5-chloro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Ethyl 5-chloro[1,2,4]triazolo[4,…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 916325-84-3 , 99951-90-3 , [99951-90-3]

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) 1.31 8.23 -9.62 0 6 0 69 226.623 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5064953 IBM Patent Data

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

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