| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 12 | No |
| 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) | 2.18 | 6.17 | -38.77 | 2 | 1 | 1 | 17 | 182.312 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 6.71 | -34.01 | 2 | 1 | 0 | 17 | 181.304 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0676237A1; EP0676237B1; US5589517 | IBM Patent Data |
