UCSF

ZINC67446989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: 1-[4-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-N-(tetrahydropyran-4-ylmethyl)methanamine 1-[4-[[(5R)-1-azabicyclo[3.2.1]o…

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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) 2.93 8.21 -92.18 3 4 2 40 332.488 6 ↓
Hi High (pH 8-9.5) 2.93 5.53 -47.46 2 4 1 38 331.48 6 ↓

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Rings

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

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