UCSF

ZINC62952127

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)butan-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) 3.03 8.91 -114.07 4 3 2 45 292.467 4 ↓
Mid Mid (pH 6-8) 3.03 7.12 -41.17 3 3 1 44 291.459 4 ↓
Mid Mid (pH 6-8) 3.03 8.6 -30.31 3 3 1 44 291.459 4 ↓

Activity (Go SEA)

Rings

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

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