UCSF

ZINC62959206

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-thiazol-5-yl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-4…

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) 3.20 6.98 -45.27 3 3 1 44 280.461 3 ↓
Mid Mid (pH 6-8) 3.20 6.52 -4.92 2 3 0 42 279.453 3 ↓

Activity (Go SEA)

Rings

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

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