UCSF

ZINC22848299

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 29 Yes

Popular Name: 2-[4-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]piperazin-1-yl]-N-[(2-fluorophenyl)methyl]ace 2-[4-[2-[(3S,5S)-3,5-dimethyl-1-…

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) 2.33 8.38 -43.07 2 6 1 57 405.538 6 ↓
Hi High (pH 8-9.5) 2.33 6.16 -16.05 1 6 0 56 404.53 6 ↓
Hi High (pH 8-9.5) 2.33 8.38 -43.88 2 6 1 57 405.538 6 ↓

Activity (Go SEA)

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