UCSF

ZINC62952801

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 8-azaspiro[4.5]decan-8-yl(piperazin-1-yl)methanone 8-azaspiro[4.5]decan-8-yl(pipera…

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) 1.42 5.67 -50.15 2 4 1 40 252.382 0 ↓
Mid Mid (pH 6-8) 1.42 4.3 -8.09 1 4 0 36 251.374 0 ↓

Activity (Go SEA)

Rings

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

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