| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 21 | 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) | 1.84 | 5.97 | -38.69 | 1 | 5 | 1 | 35 | 295.403 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 6.05 | -36.86 | 1 | 5 | 1 | 35 | 295.403 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 3.66 | -7.13 | 0 | 5 | 0 | 34 | 294.395 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0553016A1; EP0553016B1 | IBM Patent Data |
