UCSF

ZINC60120515

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 25 Yes

Popular Name: 5-ethyl-2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-7-propoxy-quinoline 5-ethyl-2-[(1R,5S)-8-methyl-8-az…

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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) 4.85 11.2 -36.19 1 3 1 27 339.503 5 ↓
Mid Mid (pH 6-8) 4.85 11.41 -90.82 2 3 2 28 340.511 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999065492A1 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.