UCSF

ZINC17991361

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Substance Information

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

Popular Name: 2-(3-pyridinyl)-4(3H)-quinazolinone 2-(3-pyridinyl)-4(3H)-quinazolinone

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Other Names:

MFCD00714447

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) 2.03 4.85 -9.9 1 4 0 59 223.235 1 ↓
Hi High (pH 8-9.5) 2.49 3.01 -48.71 0 4 -1 62 222.227 1 ↓
Lo Low (pH 4.5-6) 2.03 5.32 -44.54 2 4 1 60 224.243 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0579496A1; US5436233; US5439895 IBM Patent Data

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Rings

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