UCSF

ZINC62951997

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-phenyl-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) 3.02 9.26 -121.45 4 2 2 32 274.452 3 ↓
Mid Mid (pH 6-8) 3.02 6.68 -39.73 3 2 1 31 273.444 3 ↓
Mid Mid (pH 6-8) 3.02 8.86 -29.49 3 2 1 30 273.444 3 ↓

Activity (Go SEA)

Rings

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

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