In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 21 | Yes |
Popular Name: fluoro(oxo)BLAHcarboxylic fluoro(oxo)BLAHcarboxylic
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) | 0.77 | 10.03 | -65.03 | 0 | 4 | -1 | 62 | 286.282 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.77 | 8.02 | -13.26 | 1 | 4 | 0 | 59 | 287.29 | 1 | ↓ |
Mid Mid (pH 6-8) | -1.67 | 8.17 | -33.64 | 1 | 4 | 0 | 64 | 287.29 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4317820 | IBM Patent Data |