UCSF

ZINC49331262

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-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[2-(2-methylimidazol-1…

Find On: PubMed — Wikipedia — Google

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) 1.54 8.53 -81.89 3 4 2 39 278.444 6 ↓
Hi High (pH 8-9.5) 1.54 8.07 -41.99 2 4 1 38 277.436 6 ↓
Mid Mid (pH 6-8) 1.54 7.78 -91.65 3 4 2 36 278.444 6 ↓
Mid Mid (pH 6-8) 1.54 8.6 -114.8 3 4 2 39 278.444 6 ↓
Mid Mid (pH 6-8) 1.54 9.08 -178.8 4 4 3 40 279.452 6 ↓

Activity (Go SEA)

Rings

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

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