| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 13 | 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) | -0.49 | 0.4 | -39.5 | 3 | 4 | 1 | 51 | 186.279 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | -2.08 | -10.07 | 2 | 4 | 0 | 50 | 185.271 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.49 | 0.32 | -40.06 | 3 | 4 | 1 | 51 | 186.279 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0375451A2 | IBM Patent Data |
