| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 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) | -1.05 | -0.89 | -41.91 | 4 | 4 | 1 | 60 | 186.279 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.05 | -1 | -5.79 | 3 | 4 | 0 | 58 | 185.271 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.05 | 0.61 | -101.6 | 5 | 4 | 2 | 65 | 187.287 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0958287A1 | IBM Patent Data |
