UCSF

ZINC22798627

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 18 Yes

Popular Name: Methyl 4-(3-methylpiperazin-1-ylmethyl)benzoate Methyl 4-(3-methylpiperazin-1-yl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 914349-83-0 , [914349-83-0]

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) 1.89 4.76 -44.05 2 4 1 46 249.334 4 ↓
Hi High (pH 8-9.5) 1.89 3.41 -5.92 1 4 0 42 248.326 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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