UCSF

ZINC21951886

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

Popular Name: 4-(4-Ethylpiperazin-1-ylmethyl)benzylamine 4-(4-Ethylpiperazin-1-ylmethyl)b…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 914349-67-0 , [914349-67-0]

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) 1.19 4.59 -84.9 4 3 2 35 235.375 4 ↓
Mid Mid (pH 6-8) 1.19 4.6 -90.44 4 3 2 35 235.375 4 ↓
Mid Mid (pH 6-8) 1.19 2.28 -45.48 3 3 1 34 234.367 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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