UCSF

ZINC66166945

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 25 Yes

Popular Name: [(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] [(1R,5S)-8-phenethyl-8-azabicycl…

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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) 4.71 13.57 -40.26 1 3 1 31 336.455 6 ↓
Hi High (pH 8-9.5) 4.71 11.37 -6.38 0 3 0 30 335.447 6 ↓

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

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