UCSF

ZINC39409370

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 8 Yes

Popular Name: 1,3-Dimethyl-piperazine 1,3-Dimethyl-piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1022094-05-8 , 1152110-30-9 , 1152367-80-0 , 22317 , 22317-01-7 , 84477-85-0 , [1152367-80-0] , [22317-01-7]

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) 0.32 0.57 -33.66 2 2 1 20 115.2 0 ↓
Hi High (pH 8-9.5) 0.32 -0.72 -1.33 1 2 0 15 114.192 0 ↓
Lo Low (pH 4.5-6) 0.32 2.98 -103.54 3 2 2 21 116.208 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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