UCSF

ZINC67966987

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: 4-[1-[[4-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-4-piperidyl]morpholine 4-[1-[[4-[[(5S)-1-azabicyclo[3.2…

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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) 2.69 6.04 -38.67 1 5 1 29 386.56 5 ↓
Hi High (pH 8-9.5) 2.69 5.61 -42.38 1 5 1 29 386.56 5 ↓
Mid Mid (pH 6-8) 2.69 8.29 -86.61 2 5 2 31 387.568 5 ↓
Lo Low (pH 4.5-6) 2.69 8.48 -79.24 2 5 2 31 387.568 5 ↓
Lo Low (pH 4.5-6) 2.69 10.73 -162.92 3 5 3 32 388.576 5 ↓

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

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