| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 22 | 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) | 3.99 | 9.08 | -8.07 | 1 | 3 | 0 | 36 | 292.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 9.17 | -42.78 | 2 | 3 | 0 | 37 | 293.39 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0934931A2; US5792783; US5834504; US5883113; US5883116; US5886020; WO1996040116A1 | IBM Patent Data |
