UCSF

ZINC67934413

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 Yes

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

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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) 1.72 6.85 -30.49 2 5 1 50 330.452 6 ↓
Hi High (pH 8-9.5) 1.72 6.94 -37.3 2 5 1 50 330.452 6 ↓
Hi High (pH 8-9.5) 1.72 4.25 -10.07 1 5 0 49 329.444 6 ↓

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

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