UCSF

ZINC62952068

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-bromo-2-thienyl)propan-2-amine (1R,2S)-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) 3.85 7.04 -38.03 3 2 1 31 358.369 3 ↓
Hi High (pH 8-9.5) 3.85 6.86 -1.16 2 2 0 29 357.361 3 ↓
Mid Mid (pH 6-8) 3.85 8.54 -35.17 3 2 1 30 358.369 3 ↓
Mid Mid (pH 6-8) 3.85 8.82 -122.69 4 2 2 32 359.377 3 ↓

Activity (Go SEA)

Rings

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

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