| 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) | 2.71 | 5.85 | -6.88 | 1 | 2 | 0 | 36 | 188.274 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 6.99 | -47.05 | 2 | 2 | 1 | 40 | 189.282 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0897912A1; US5854234; US6046211; US6071906; WO1995011231A1 | IBM Patent Data |
