| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 18 | 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) | 1.74 | 8.81 | -36.94 | 1 | 4 | 1 | 52 | 242.302 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 8.34 | -15.97 | 0 | 4 | 0 | 51 | 241.294 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0504574A1; EP0504574B1 | IBM Patent Data |
