UCSF

ZINC62951945

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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) 2.65 7.65 -121.88 4 3 2 41 290.451 4 ↓
Mid Mid (pH 6-8) 2.65 7.92 -31.32 3 3 1 40 289.443 4 ↓
Mid Mid (pH 6-8) 2.65 5.78 -42.74 3 3 1 40 289.443 4 ↓

Activity (Go SEA)

Rings

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

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