In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 31 | No |
Popular Name: 2-hydroxy-4-[1-(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)ethylideneamino]benzoic 2-hydroxy-4-[1-(4-hydroxy-2-oxo-…
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) | 3.94 | 7.84 | -118.32 | 1 | 7 | -2 | 118 | 412.401 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 10.44 | -57.36 | 2 | 7 | -1 | 111 | 413.409 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 138 - 142 | MolMall (formerly Molecular Diversity Preservation International) |
mp | 177 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.