UCSF

ZINC54931439

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3S)-1-(azetidin-3-yl)-3-ethyl-piperidine (3S)-1-(azetidin-3-yl)-3-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) 1.63 5.09 -110.74 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.63 0.94 -0.94 1 2 0 15 168.284 2 ↓
Mid Mid (pH 6-8) 1.63 3.42 -31.16 2 2 1 16 169.292 2 ↓
Mid Mid (pH 6-8) 1.63 2.61 -36.82 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.