| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 28 | No |
| 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) | -5.68 | 4.01 | -200.51 | 3 | 14 | -3 | 243 | 405.292 | 15 | ↓ |
| Mid Mid (pH 6-8) | -5.68 | 5.46 | -294.57 | 2 | 14 | -4 | 246 | 404.284 | 15 | ↓ |
| Lo Low (pH 4.5-6) | -5.68 | 5.65 | -104.68 | 4 | 14 | -2 | 244 | 406.3 | 15 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0940148A1 | IBM Patent Data |
