UCSF

ZINC09579565

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2007 34 Yes

Popular Name: (4-azepan-1-ylcarbonyl-1-piperidyl)-(2,5-diphenylpyrazol-3-yl)-methanone (4-azepan-1-ylcarbonyl-1-piperid…

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) 4.55 0.98 -20.42 0 6 0 58 456.59 4 ↓

Activity (Go SEA)

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