UCSF

ZINC62952029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (1R,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)propan-2-amine (1R,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) 2.27 7.45 -116.08 4 3 2 45 264.413 3 ↓
Mid Mid (pH 6-8) 2.27 7.06 -32.62 3 3 1 44 263.405 3 ↓
Mid Mid (pH 6-8) 2.27 5.28 -39.56 3 3 1 44 263.405 3 ↓

Activity (Go SEA)

Rings

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

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