| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2006 | 23 | Yes |
None
| 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) | 0.79 | 4.15 | -59.1 | 2 | 5 | 1 | 60 | 316.377 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 2.35 | -17.39 | 1 | 5 | 0 | 59 | 315.369 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0596903A1; EP0596903B1; EP0610357A1; EP0610357B1; US5071985; US5676968; WO1997025988A1 | IBM Patent Data |
