| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 28 | 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) | 2.69 | 7.75 | -11.46 | 1 | 6 | 0 | 81 | 394.452 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 8 | -39.7 | 2 | 6 | 1 | 83 | 395.46 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0925301A1; EP1017675A1; US5910491; US6028078; WO1998007727A1; WO1998035940A1 | IBM Patent Data |
