UCSF

ZINC67473133

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: 6-ethoxy-3-[[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]-1H-quinolin-2-one 6-ethoxy-3-[[methyl-[[(2S)-tetra…

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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) 1.68 6.74 -38.38 2 5 1 56 317.409 6 ↓
Mid Mid (pH 6-8) 1.68 4.32 -12.58 1 5 0 55 316.401 6 ↓

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

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