UCSF

ZINC62956639

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-propanoic (2S)-3-(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) 0.08 9.37 -69 3 4 1 61 281.42 5 ↓
Hi High (pH 8-9.5) 0.08 8.22 -33.93 2 4 0 57 280.412 5 ↓
Hi High (pH 8-9.5) 0.08 7.54 -32.94 2 4 0 60 280.412 5 ↓

Activity (Go SEA)

Rings

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

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