UCSF

ZINC19735176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 Yes

Popular Name: 1-(4-methylbenzyl)piperazine 1-(4-methylbenzyl)piperazine

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CAS Numbers: 199672-09-8 , 23173-57-1 , 435345-17-8

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) 1.49 4.11 -39.46 2 2 1 20 191.298 2 ↓
Hi High (pH 8-9.5) 1.49 2.7 -2.71 1 2 0 15 190.29 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 115-117°/1mm Oakwood Chemical
Melting_Point 37-41? Alfa-Aesar
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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