UCSF

ZINC62952686

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-yl)quinuclidin-3-yl]methanamine [(3S)-3-(8-azaspiro[4.5]decan-8-…

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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 5.15 -122.13 4 3 2 35 279.472 2 ↓
Mid Mid (pH 6-8) 1.75 5.17 -28.28 3 3 1 34 278.464 2 ↓
Mid Mid (pH 6-8) 1.75 7.45 -98.03 4 3 2 35 279.472 2 ↓
Mid Mid (pH 6-8) 1.75 3.43 -46.35 3 3 1 34 278.464 2 ↓
Lo Low (pH 4.5-6) 1.75 7.58 -229.77 5 3 3 37 280.48 2 ↓

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

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