| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 15 | 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) | 2.96 | 8.15 | -7.85 | 0 | 2 | 0 | 18 | 241.121 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 8.62 | -31.98 | 1 | 2 | 1 | 19 | 242.129 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0995742A1 | IBM Patent Data |
