UCSF

ZINC62951167

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-3-pyridyl]methanamine [6-(8-azaspiro[4.5]decan-8-yl)-3…

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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) 2.21 6.48 -45.41 3 3 1 44 246.378 2 ↓
Hi High (pH 8-9.5) 2.21 6.07 -4.29 2 3 0 42 245.37 2 ↓
Mid Mid (pH 6-8) 2.21 6.8 -102.95 4 3 2 45 247.386 2 ↓

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

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