UCSF

ZINC62952121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(4-pyridyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 1.32 4.67 -47.39 3 3 1 44 260.405 3 ↓
Hi High (pH 8-9.5) 1.32 4.65 -2.92 2 3 0 42 259.397 3 ↓
Mid Mid (pH 6-8) 1.32 6.87 -34.62 3 3 1 43 260.405 3 ↓
Mid Mid (pH 6-8) 1.32 6.6 -128.5 4 3 2 45 261.413 3 ↓

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Rings

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

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