UCSF

ZINC13409456

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 No

Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-5-oxo-4-(pyrimidin-2-ylhydrazono)-1H-pyrazol-3-yl]quinolin-2-one 4-hydroxy-1-methyl-3-[(4Z)-5-oxo…

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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) 0.30 2.45 -145.9 1 10 -2 144 361.321 3 ↓
Lo Low (pH 4.5-6) -0.16 3.96 -58.52 2 10 -1 141 362.329 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 302 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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