UCSF

ZINC13118308

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 17 Yes

Popular Name: 3-(5-phenyl-4H-1,2,4-triazol-3-yl)pyridine 3-(5-phenyl-4H-1,2,4-triazol-3-y…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 80980-09-2 , [80980-09-2]

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) 2.55 6.44 -8.82 1 4 0 54 222.251 2 ↓
Ref Reference (pH 7) 2.55 6.44 -9.01 1 4 0 54 222.251 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5780481 IBM Patent Data

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