| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 14 | 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) | 0.20 | 2.49 | -44.95 | 1 | 4 | -1 | 65 | 190.178 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 1.04 | -112.38 | 0 | 4 | -2 | 68 | 189.17 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0343574A1; EP0343574B1; US5081121 | IBM Patent Data |
