UCSF

ZINC69489973

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 27 No

Popular Name: 4-oxo-N-[2-(2-quinolyl)ethyl]-2-sulfanyl-3H-quinazoline-7-carboxamide 4-oxo-N-[2-(2-quinolyl)ethyl]-2-…

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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) 2.48 5.53 -48.37 2 6 -1 94 375.433 4 ↓
Mid Mid (pH 6-8) 2.02 6.85 -20.58 3 6 0 91 376.441 4 ↓
Lo Low (pH 4.5-6) 2.02 7.17 -47.77 4 6 1 92 377.449 4 ↓

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

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