| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 28 | No |
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) | -3.25 | 1.61 | -65.47 | 5 | 11 | -1 | 181 | 426.456 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.25 | 1.9 | -95.4 | 6 | 11 | 0 | 182 | 427.464 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0076463A2; US4694001 | IBM Patent Data |
