In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 21 | Yes |
Popular Name: 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-quinoline-3-carboxylic 6,7-difluoro-1-[(1R,2S)-2-fluoro…
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) | 0.47 | 9.03 | -66.79 | 0 | 4 | -1 | 62 | 296.224 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.47 | 7.02 | -17.31 | 1 | 4 | 0 | 59 | 297.232 | 2 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | US5545642; US5605910; US5703094; US5753669; US5986105; US5990122 | IBM Patent Data |