| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2010 | 13 | 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) | 0.32 | 0.63 | -39.57 | 3 | 3 | 1 | 40 | 187.307 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 1.48 | -33.62 | 3 | 3 | 1 | 37 | 187.307 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 2.83 | -113.1 | 4 | 3 | 2 | 41 | 188.315 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5821246; WO1996015118A1 | IBM Patent Data |
