UCSF

ZINC67954261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 20 Yes

Popular Name: 6-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]tetralin-1-one 6-[[(5S)-1-azabicyclo[3.2.1]octa…

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) 2.90 8.1 -46.45 1 3 1 31 272.368 2 ↓
Mid Mid (pH 6-8) 2.90 5.41 -6.75 0 3 0 30 271.36 2 ↓

Activity (Go SEA)

Rings

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

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