UCSF

ZINC67967957

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 Yes

Popular Name: 8-[[(3S)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]-2-methyl-4-oxa-2,8-diazaspiro[4.5]decan-3-o 8-[[(3S)-3-hydroxy-2-oxo-1-phene…

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) 1.53 8.23 -55.18 2 7 1 75 402.515 5 ↓
Hi High (pH 8-9.5) 1.53 7.41 -15.52 1 7 0 73 401.507 5 ↓

Activity (Go SEA)

Rings

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

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