UCSF

ZINC67944630

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Popular Name: N-[3-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropyl]acetamide N-[3-[3-(5-methyl-2-pyridyl)-4-o…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.64 8.17 -20.55 1 6 0 77 368.462 6 ↓
Lo Low (pH 4.5-6) -1.10 9.21 -39.08 2 6 1 81 369.47 5 ↓

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

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