UCSF

ZINC96179471

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2014 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 Number: 1231763-32-8

Other Names:

MFCD28015976

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 6.51 -37.6 3 4 1 53 324.448 4 ↓
Hi High (pH 8-9.5) 1.36 5.42 -31.76 3 4 1 53 324.448 4 ↓
Hi High (pH 8-9.5) 1.36 4.97 -5.04 2 4 0 51 323.44 4 ↓
Mid Mid (pH 6-8) 1.36 6.86 -97.96 4 4 2 54 325.456 4 ↓
Mid Mid (pH 6-8) 1.36 6.79 -126.38 4 4 2 54 325.456 4 ↓

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

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