UCSF

ZINC55041986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 Yes

Popular Name: 2-ethoxy-N-methyl-N-[(1S)-1-methyl-2-(4-methyl-2-pyridyl)ethyl]pyridine-3-carboxamide 2-ethoxy-N-methyl-N-[(1S)-1-meth…

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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) 2.14 7.76 -15.09 0 5 0 55 313.401 6 ↓
Mid Mid (pH 6-8) 2.14 7.46 -40.08 1 5 1 57 314.409 6 ↓

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

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