UCSF

ZINC19199886

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 13 Yes

Popular Name: 2,2-Dimethyl-3-(4-methyl-piperazin-1-yl)-propylamine 2,2-Dimethyl-3-(4-methyl-piperaz…

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CAS Number: 879059-43-5

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) 0.20 2.57 -86.35 4 3 2 35 187.331 3 ↓
Mid Mid (pH 6-8) 0.20 1.97 -100.38 4 3 2 35 187.331 3 ↓
Mid Mid (pH 6-8) 0.20 0.09 -44.05 3 3 1 34 186.323 3 ↓

Vendor Notes

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

Activity (Go SEA)

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