UCSF

ZINC62953586

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: (1S,2S)-2-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-cyclopentanamine (1S,2S)-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) 3.27 8.07 -30.19 2 2 1 16 251.438 3 ↓
Mid Mid (pH 6-8) 3.27 9.19 -110.36 3 2 2 21 252.446 3 ↓

Activity (Go SEA)

Rings

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

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