UCSF

ZINC08700471

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 16 Yes

Popular Name: 4-((4-Oxo-1,4-dihydropyrimidin-2-yl)amino)benzonitrile 4-((4-Oxo-1,4-dihydropyrimidin-2…

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CAS Numbers: 189956-45-4 , [189956-45-4]

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) 1.53 6.17 -13.7 2 5 0 82 212.212 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 295 - 296 KeyOrganics
Purity 95% Fluorochem

Activity (Go SEA)

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

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