UCSF

ZINC62954104

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 Yes

Popular Name: 1-(azetidin-3-yl)-4,4-diethyl-piperidine 1-(azetidin-3-yl)-4,4-diethyl-pi…

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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) 2.21 5.71 -113.5 3 2 2 21 198.354 3 ↓
Hi High (pH 8-9.5) 2.21 1.56 -0.78 1 2 0 15 196.338 3 ↓
Hi High (pH 8-9.5) 2.21 3.23 -37.23 2 2 1 20 197.346 3 ↓
Mid Mid (pH 6-8) 2.21 4.03 -32.46 2 2 1 16 197.346 3 ↓

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

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