| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 21 | 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) | 5.15 | 5.38 | -40.08 | 5 | 3 | 1 | 68 | 300.507 | 15 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 5.06 | -2.96 | 4 | 3 | 0 | 66 | 299.499 | 15 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0688330A1; EP0688331A1; EP0930315A1; US6084081 | IBM Patent Data |
