UCSF

ZINC09339815

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2007 13 Yes

Popular Name: 5-styryl-2h-1,2,3,4-tetraazole 5-styryl-2h-1,2,3,4-tetraazole

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CAS Numbers: 220429-71-0 , 82701-51-7 , [220429-71-0]

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) 1.73 4.14 -39.38 0 4 -1 53 171.183 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 185 - 187 KeyOrganics
MP 185-187° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50442-4-O Candida Albicans (cluster #4 Of 4), Other Other 10000 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50442 Z50442 Candida Albicans 10000 0.54 Functional ≤ 10μM

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

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