UCSF

ZINC27415940

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 24 Yes

Popular Name: 7-[(2S,3R)-3-amino-2-methyl-azetidin-1-yl]-6-fluoro-1-(2-fluoroethyl)-4-oxo-quinoline-3-carboxylic 7-[(2S,3R)-3-amino-2-methyl-azet…

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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) -1.01 4.28 -114.51 3 6 0 93 337.326 4 ↓
Mid Mid (pH 6-8) -3.72 3.33 -89.46 4 6 1 96 338.334 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0388298B1; US5393758 IBM Patent Data

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