| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 23 | 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) | 3.85 | 12.04 | -10.22 | 1 | 5 | 0 | 48 | 307.401 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 12.44 | -22.69 | 2 | 5 | 1 | 49 | 308.409 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0812322A1; WO1996026941A1; WO1998042708A2 | IBM Patent Data |
