UCSF

ZINC67982420

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 28 Yes

Popular Name: (5R)-5-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-azabicyclo[3.2.1]octane (5R)-5-[4-[(4-pyrimidin-2-ylpipe…

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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) 2.72 10.37 -42.34 1 6 1 46 380.516 5 ↓
Lo Low (pH 4.5-6) 2.72 12.59 -87.62 2 6 2 47 381.524 5 ↓

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

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