UCSF

ZINC02043652

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 Yes

Popular Name: 2-aminohexan-1-ol oxalate 2-aminohexan-1-ol oxalate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5665-74-7 , 80696-28-2 , 855917-72-5

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) 0.49 -0.69 -37.12 4 2 1 48 118.2 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0228192A2 IBM Patent Data

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