| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2009 | 33 | Yes |
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) | 3.79 | 10.04 | -63.05 | 2 | 7 | 1 | 87 | 457.591 | 14 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 8.73 | -16.08 | 1 | 7 | 0 | 82 | 456.583 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0180810A1; US4612329 | IBM Patent Data |
