UCSF

ZINC33883405

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 28 Yes

Popular Name: 2-[5,6-bis(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoicacidethylester 2-[5,6-bis(4-methylphenyl)-3-oxo…

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CAS Number: 108734-89-0

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) 4.25 10.34 -13.72 0 6 0 74 377.444 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4677105 IBM Patent Data

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

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