UCSF

ZINC19797965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 18 Yes

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

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CAS Numbers: 895519-97-8 , [895519-97-8]

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) 1.92 5.94 -73.78 1 4 0 48 248.326 4 ↓
Mid Mid (pH 6-8) 1.92 5.96 -75.61 1 4 0 48 248.326 4 ↓
Mid Mid (pH 6-8) 1.92 3.57 -50.36 0 4 -1 47 247.318 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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