UCSF

ZINC19428185

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 Yes

Popular Name: 3-(4-Benzyl-piperazin-1-yl)-propylamine 3-(4-Benzyl-piperazin-1-yl)-prop…

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CAS Numbers: 4553-27-9 , [4553-27-9]

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) 0.71 4.37 -107.2 4 3 2 35 235.375 5 ↓
Mid Mid (pH 6-8) 0.71 4.38 -94.24 4 3 2 35 235.375 5 ↓
Mid Mid (pH 6-8) 0.71 2 -45.16 3 3 1 34 234.367 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 116-119°/0.1 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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