| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 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) | 1.44 | 3.55 | -38.18 | 3 | 2 | 1 | 37 | 180.271 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 2.05 | -4.61 | 2 | 2 | 0 | 32 | 179.263 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0403952A2; US5093526 | IBM Patent Data |
