UCSF

ZINC62952125

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)propan-2-amine (1S,2R)-1-(8-azaspiro[4.5]decan-…

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) 1.73 4.94 -44.15 3 3 1 44 274.432 3 ↓
Hi High (pH 8-9.5) 1.73 4.63 -2.46 2 3 0 42 273.424 3 ↓
Mid Mid (pH 6-8) 1.73 7.5 -128.63 4 3 2 45 275.44 3 ↓
Mid Mid (pH 6-8) 1.73 7.08 -34.35 3 3 1 43 274.432 3 ↓

Activity (Go SEA)

Rings

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

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