UCSF

ZINC40448423

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 14 Yes

Popular Name: 2-(4-Methyl-1-piperazinyl)-4-pyrimidinamine 2-(4-Methyl-1-piperazinyl)-4-pyr…

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CAS Numbers: 57005-71-7 , [57005-71-7]

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) 0.47 6.07 -86.31 4 5 2 61 195.27 1 ↓
Mid Mid (pH 6-8) 0.47 5.72 -37.9 3 5 1 59 194.262 1 ↓
Mid Mid (pH 6-8) 0.47 3.38 -6.58 2 5 0 58 193.254 1 ↓
Mid Mid (pH 6-8) 0.47 3.71 -28.79 3 5 1 60 194.262 1 ↓

Vendor Notes

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

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Rings

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