UCSF

ZINC62955422

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Substance Information

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

Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)-5-chloro-3-pyridyl]methanol [6-(8-azaspiro[4.5]decan-8-yl)-5…

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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) 2.97 6.25 -5.31 1 3 0 36 280.799 2 ↓
Lo Low (pH 4.5-6) 2.97 6.73 -29.64 2 3 1 38 281.807 2 ↓

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Rings

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

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