UCSF

ZINC49328869

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 Yes

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

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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) 1.22 8.6 -41.64 2 4 1 38 263.409 6 ↓
Mid Mid (pH 6-8) 1.22 9.36 -172.11 4 4 3 40 265.425 6 ↓
Mid Mid (pH 6-8) 1.22 7.57 -40.44 2 4 1 34 263.409 6 ↓
Mid Mid (pH 6-8) 1.22 8.85 -110.08 3 4 2 39 264.417 6 ↓
Mid Mid (pH 6-8) 1.22 9.11 -78.88 3 4 2 39 264.417 6 ↓

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Rings

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

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