| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 29 | 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) | 1.86 | 9.16 | -55.35 | 1 | 7 | 1 | 68 | 402.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 6.94 | -10.52 | 0 | 7 | 0 | 66 | 401.459 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1997022606A1 | IBM Patent Data |
