UCSF

ZINC62952594

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Substance Information

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

Popular Name: [4-(8-azaspiro[4.5]decan-8-yl)tetrahydropyran-4-yl]methanamine [4-(8-azaspiro[4.5]decan-8-yl)te…

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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) 1.48 5.05 -125.34 4 3 2 41 254.418 2 ↓
Mid Mid (pH 6-8) 1.48 3.19 -44.94 3 3 1 40 253.41 2 ↓
Mid Mid (pH 6-8) 1.48 4.73 -31.86 3 3 1 40 253.41 2 ↓

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Rings

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

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