UCSF

ZINC22683040

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 Yes

Popular Name: 1-(2,4-difluorobenzoyl)-N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]piperidine-4-carboxamide 1-(2,4-difluorobenzoyl)-N-[(2S)-…

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) 2.79 10.61 -63.1 2 5 1 54 434.482 6 ↓
Hi High (pH 8-9.5) 2.79 8.51 -26.09 1 5 0 53 433.474 6 ↓

Activity (Go SEA)

Rings

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

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