UCSF

ZINC34875966

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 24 Yes

Popular Name: (S)-{5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanamine trihydrochloride (S)-{5-ethenyl-1-azabicyclo[2.2.…

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CAS Numbers: 1231763-32-8 , 168960-95-0

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) 1.36 6.39 -38.55 3 4 1 53 324.448 4 ↓
Hi High (pH 8-9.5) 1.36 4.09 -5.55 2 4 0 51 323.44 4 ↓
Hi High (pH 8-9.5) 1.36 4.83 -32.67 3 4 1 53 324.448 4 ↓
Mid Mid (pH 6-8) 1.36 6.85 -93.09 4 4 2 54 325.456 4 ↓
Mid Mid (pH 6-8) 1.36 6.8 -138.55 4 4 2 54 325.456 4 ↓

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