| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 20 | 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) | 1.57 | 3.63 | -51.69 | 2 | 6 | -1 | 100 | 356.225 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 3.94 | -11.3 | 3 | 6 | 0 | 98 | 357.233 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0852499A1; US4665100; WO1990014438A1; WO1992014456A1; WO1997009052A1 | IBM Patent Data |
