UCSF

ZINC71575171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 27 Yes

Popular Name: (3-hydroxyazetidin-1-yl)-[(3R)-1-(1-phenethyl-4-piperidyl)-3-piperidyl]methanone (3-hydroxyazetidin-1-yl)-[(3R)-1…

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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) 1.91 6.8 -42.86 2 5 1 48 372.533 5 ↓
Mid Mid (pH 6-8) 1.91 6.88 -52.48 2 5 1 48 372.533 5 ↓
Lo Low (pH 4.5-6) 1.91 9.05 -116.65 3 5 2 49 373.541 5 ↓

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

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