UCSF

ZINC19735520

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 13 Yes

Popular Name: 1-methyl-2-phenylpiperazine 1-methyl-2-phenylpiperazine

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CAS Numbers: 5271-28-3 , 1199273-64-7 , 5271-28-3 , N/A

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) 1.22 5.84 -116.63 3 2 2 21 178.279 1 ↓
Hi High (pH 8-9.5) 1.22 2.37 -2.15 1 2 0 15 176.263 1 ↓
Mid Mid (pH 6-8) 1.22 3.78 -41.24 2 2 1 20 177.271 1 ↓

Vendor Notes

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

Activity (Go SEA)

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