In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 22 | Yes |
Popular Name: 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-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) | 0.08 | 8.09 | -62.21 | 0 | 5 | -1 | 71 | 312.223 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.08 | 6.1 | -13.73 | 1 | 5 | 0 | 69 | 313.231 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5545642; US5605910; US5679689; US5703094; US5753669; US5783708; US5986105; US5990122; WO1996001262A1 | IBM Patent Data |