| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2005 | 35 | No |
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) | 2.17 | 5.57 | -56.25 | 4 | 10 | 1 | 129 | 507.633 | 14 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 6.77 | -81.1 | 3 | 10 | 0 | 132 | 506.625 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5455258; US5506242; US5552419; US5646167; US6133304; WO1996000214A1; WO1998025597A2; WO2000004892A2 | IBM Patent Data |
