| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 17th, 2008 | 20 | Yes |
None
| 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) | 1.58 | -0.17 | -13.28 | 4 | 5 | 0 | 98 | 274.272 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 0.71 | -58.28 | 3 | 5 | -1 | 101 | 273.264 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 0.84 | -53.22 | 3 | 5 | -1 | 101 | 273.264 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0400478A2 | IBM Patent Data |
