| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 24 | Yes |
| 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) | 1.82 | -1.61 | -18.6 | 4 | 7 | 0 | 118 | 389.886 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | -2.12 | -46.12 | 3 | 7 | -1 | 120 | 388.878 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0032725A1; EP0061186A1; EP0061187A1; EP0077529A2; EP0105881A1; EP0106443A2; EP0106443B1; EP0117274A1; EP0129284A2; EP0129285A2; EP0129285B1; EP0154009A1; EP0154009B1; EP0156321A2; EP0156322A2; EP0157409A2; EP0166353A2; EP0166353B1; EP0173729A1; EP017392 | IBM Patent Data |
