| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2008 | 23 | No |
| 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) | -0.71 | 1.9 | -26.62 | 4 | 8 | -1 | 137 | 349.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 0.12 | -82.21 | 3 | 8 | -2 | 141 | 348.365 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 0.02 | -86.93 | 3 | 8 | -2 | 141 | 348.365 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000052100A1 | IBM Patent Data |
