UCSF

ZINC19366121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 10 No

Popular Name: 1-(2-Chloroethyl)-4-methylpiperazine 1-(2-Chloroethyl)-4-methylpipera…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 126055-32-1 , 39123-20-1 , 5753-26-4 , [126055-32-1] , [39123-20-1] , [5753-26-4]

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) 0.84 3.47 -35.27 1 2 1 8 163.672 2 ↓
Mid Mid (pH 6-8) 0.84 3.39 -35.93 1 2 1 8 163.672 2 ↓
Mid Mid (pH 6-8) 0.84 0.99 -1.99 0 2 0 6 162.664 2 ↓

Vendor Notes

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

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