UCSF

ZINC62956099

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-5-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-pentanenitrile (2S)-5-(8-azaspiro[4.5]decan-8-y…

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) 3.14 8.91 -40.75 2 3 1 40 290.475 6 ↓
Mid Mid (pH 6-8) 3.14 10.05 -105.4 3 3 2 45 291.483 6 ↓

Activity (Go SEA)

Rings

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

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