UCSF

ZINC62951169

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Substance Information

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

Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-5-chloro-phenyl]methanamine [2-(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) 3.72 8.18 -46.09 3 2 1 31 279.835 2 ↓
Hi High (pH 8-9.5) 3.72 8.08 -0.83 2 2 0 29 278.827 2 ↓

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Rings

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

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