UCSF

ZINC62954040

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 Yes

Popular Name: 1-(azetidin-3-yl)-4-ethyl-4-methyl-piperidine 1-(azetidin-3-yl)-4-ethyl-4-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) 1.87 5.24 -112.23 3 2 2 21 184.327 2 ↓
Hi High (pH 8-9.5) 1.87 1.37 -0.74 1 2 0 15 182.311 2 ↓
Hi High (pH 8-9.5) 1.87 3.05 -36.4 2 2 1 20 183.319 2 ↓
Mid Mid (pH 6-8) 1.87 3.57 -31.92 2 2 1 16 183.319 2 ↓

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

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