UCSF

ZINC68949900

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 14 Yes

Popular Name: (1R,5S,9S)-9-methyl-3-azaspiro[4.5]decane-1-carboxylic (1R,5S,9S)-9-methyl-3-azaspiro[4…

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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) 1.57 5.41 -57.6 2 3 0 57 197.278 1 ↓
Hi High (pH 8-9.5) 1.57 3.95 -47.6 1 3 -1 52 196.27 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999061424A1 IBM Patent Data

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Rings

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

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