UCSF

ZINC54931405

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 12 Yes

Popular Name: (2S)-1-(azetidin-3-yl)-2-ethyl-piperidine (2S)-1-(azetidin-3-yl)-2-ethyl-p…

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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) 1.75 4.7 -109.05 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.75 0.94 -0.93 1 2 0 15 168.284 2 ↓
Mid Mid (pH 6-8) 1.75 3.01 -29.32 2 2 1 16 169.292 2 ↓
Mid Mid (pH 6-8) 1.75 2.62 -37.15 2 2 1 20 169.292 2 ↓

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

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