UCSF

ZINC49328871

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 Yes

Popular Name: (1R,5S)-N-(3-imidazol-1-ylpropyl)-N-propyl-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) 1.73 9.3 -41.75 2 4 1 38 277.436 7 ↓
Mid Mid (pH 6-8) 1.73 8.32 -40.84 2 4 1 34 277.436 7 ↓
Mid Mid (pH 6-8) 1.73 9.59 -111.7 3 4 2 39 278.444 7 ↓
Mid Mid (pH 6-8) 1.73 9.81 -79.08 3 4 2 39 278.444 7 ↓
Mid Mid (pH 6-8) 1.73 10.11 -174.33 4 4 3 40 279.452 7 ↓

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Rings

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

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