UCSF

ZINC34470092

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 Yes

Popular Name: 2-ethyl-7-(hydroxymethyl)-1H-quinolin-4-one 2-ethyl-7-(hydroxymethyl)-1H-qui…

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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) 0.98 2.94 -15.02 2 3 0 53 203.241 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0412848A2; EP0412848B1; US5444071 IBM Patent Data

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