UCSF

ZINC60120513

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 19 Yes

Popular Name: (1R,5S)-8-methyl-3-(2-naphthyl)-8-azabicyclo[3.2.1]octane (1R,5S)-8-methyl-3-(2-naphthyl)-…

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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) 4.37 10.12 -34.75 1 1 1 4 252.381 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0604352A2; EP0604352A3; EP0604354A3; EP0604355A2; EP0604355A3; EP0604355B1; US5369113; US5374636; US5444070; US5554626 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.