| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 29 | Yes |
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) | 2.33 | 9.38 | -52.29 | 2 | 6 | 1 | 69 | 400.495 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 7.15 | -11 | 1 | 6 | 0 | 68 | 399.487 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0960111A1; US6150524; WO1997022606A1 | IBM Patent Data |
