UCSF

ZINC67954771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: N-[[4-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1-(2-pyridyl)methanamine N-[[4-[[(5S)-1-azabicyclo[3.2.1]…

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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) 2.40 8.46 -88.36 3 4 2 43 325.456 6 ↓
Hi High (pH 8-9.5) 2.40 5.77 -43.95 2 4 1 42 324.448 6 ↓
Hi High (pH 8-9.5) 2.40 4.4 -6.69 1 4 0 37 323.44 6 ↓
Hi High (pH 8-9.5) 2.40 7.09 -41.84 2 4 1 39 324.448 6 ↓

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Rings

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

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