UCSF

ZINC38540388

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 14 Yes

Popular Name: 2-(4-Methoxyphenyl)piperazine 2-(4-Methoxyphenyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 91517-26-9 , [91517-26-9]

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) 1.03 3.12 -124.08 4 3 2 42 194.278 2 ↓
Hi High (pH 8-9.5) 1.03 1.78 -37.62 3 3 1 38 193.27 2 ↓
Hi High (pH 8-9.5) 1.03 0.67 -3.42 2 3 0 33 192.262 2 ↓
Hi High (pH 8-9.5) 1.03 2.02 -40.77 3 3 1 38 193.27 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 55-63? Alfa-Aesar
Melting_Point 55-63° Alfa-Aesar
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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