| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 13 | 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) | 1.16 | 2.06 | -51.72 | 4 | 2 | 1 | 48 | 180.271 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 1.75 | -5.16 | 3 | 2 | 0 | 46 | 179.263 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0713848A1; EP0713848B1; EP0735142A2; EP0736509A2; EP0736509A3; US5717116; US5801280; US6025531 | IBM Patent Data |
