UCSF

ZINC05422428

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 30 Yes

Popular Name: (S-(R,S))-1-Cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid; 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-8-methoxy-4-oxo-, (S-(R,S))-1-Cyclopropyl-7-(3-(1-…

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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 -0.9 -93.59 2 7 0 91 417.481 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5258528; US5344940; US5461165; US5563155; US5633264 IBM Patent Data

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