UCSF

ZINC49328867

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 Yes

Popular Name: (1R,5S)-N-(3-imidazol-1-ylpropyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-(3-imidazol-1-ylpropyl…

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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) 0.85 5.73 -42.54 2 4 1 38 249.382 5 ↓
Mid Mid (pH 6-8) 0.85 8.71 -171.47 4 4 3 40 251.398 5 ↓
Mid Mid (pH 6-8) 0.85 6.92 -46.9 2 4 1 34 249.382 5 ↓
Mid Mid (pH 6-8) 0.85 6.24 -76.59 3 4 2 39 250.39 5 ↓
Mid Mid (pH 6-8) 0.85 8.2 -112.91 3 4 2 39 250.39 5 ↓

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Rings

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

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