UCSF

ZINC39242506

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 10 Yes

Popular Name: 1-[(1S)-1-methylallyl]piperazine 1-[(1S)-1-methylallyl]piperazine

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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) 0.61 1.4 -19.44 1 2 0 19 140.23 2 ↓
Lo Low (pH 4.5-6) 0.61 4.02 -105.84 3 2 2 21 142.246 2 ↓
Lo Low (pH 4.5-6) 0.61 2.68 -27.52 2 2 1 16 141.238 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0670831A1; WO1995009159A1 IBM Patent Data

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