UCSF

ZINC23363316

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 18 Yes

Popular Name: 1-[4-(4-methylphenoxy)butyl]piperazine 1-[4-(4-methylphenoxy)butyl]pipe…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.31 5.51 -39.79 2 3 1 29 249.378 6 ↓
Lo Low (pH 4.5-6) 2.31 7.77 -116 3 3 2 30 250.386 6 ↓
Lo Low (pH 4.5-6) 2.31 6.43 -36.07 2 3 1 26 249.378 6 ↓

Activity (Go SEA)

Rings

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

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