| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 26 | 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) | 3.34 | 11.11 | -16.94 | 1 | 5 | 0 | 76 | 349.386 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 11.11 | -54.31 | 0 | 5 | -1 | 79 | 348.378 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0330485A1; EP0330485B1; US5089504; US5432182 | IBM Patent Data |
