UCSF

ZINC62952702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: [4-(8-azaspiro[4.5]decan-8-yl)-1-propyl-4-piperidyl]methanamine [4-(8-azaspiro[4.5]decan-8-yl)-1…

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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) 2.40 6.02 -28.36 3 3 1 34 294.507 4 ↓
Mid Mid (pH 6-8) 2.40 6.48 -124.83 4 3 2 35 295.515 4 ↓
Mid Mid (pH 6-8) 2.40 6.88 -108.49 4 3 2 35 295.515 4 ↓
Mid Mid (pH 6-8) 2.40 8.27 -98.97 4 3 2 35 295.515 4 ↓
Lo Low (pH 4.5-6) 2.40 8.71 -226.38 5 3 3 37 296.523 4 ↓

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

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