| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2010 | 12 | 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) | 2.14 | 4.03 | -5.83 | 1 | 2 | 0 | 29 | 181.622 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 2.72 | -40.73 | 1 | 2 | -1 | 39 | 180.614 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6051593; US6114371; US6130238; WO1998050356A1; WO1999048868A2; WO1999061422A1; WO2000008202A2 | IBM Patent Data |
