UCSF

ZINC52543842

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Popular Name: 1-[3-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]phenyl]-N-methyl-methanamine 1-[3-[2-[(1S,4R)-5-azabicyclo[2.…

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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) 2.45 8.05 -82.54 3 3 2 30 262.397 6 ↓
Hi High (pH 8-9.5) 2.45 6.61 -31.83 2 3 1 26 261.389 6 ↓
Hi High (pH 8-9.5) 2.45 5.75 -38.35 2 3 1 29 261.389 6 ↓

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

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