UCSF

ZINC67934576

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 Yes

Popular Name: 3-[[ethyl(tetrahydropyran-4-yl)amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one 3-[[ethyl(tetrahydropyran-4-yl)a…

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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) 1.26 5.66 -41.48 2 6 1 65 347.435 6 ↓
Hi High (pH 8-9.5) 1.26 3.67 -12.32 1 6 0 64 346.427 6 ↓

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

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