UCSF

ZINC62959118

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-1-[2-(8-azaspiro[4.5]decan-8-yl)thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(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) 3.71 8.94 -36.27 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.71 7.77 -4.44 1 3 0 28 293.48 4 ↓

Activity (Go SEA)

Rings

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

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