UCSF

ZINC59839395

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 12 Yes

Popular Name: (2S)-1-ethoxy-N-ethyl-4-methyl-pentan-2-amine (2S)-1-ethoxy-N-ethyl-4-methyl-p…

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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) 2.47 4.78 -31.87 2 2 1 26 174.308 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0543861A1; EP0543861B1; US5180723; US5276153 IBM Patent Data

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