| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 8 | 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) | -0.02 | 1.12 | -113.79 | 5 | 2 | 2 | 44 | 118.224 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.02 | 0.7 | -29.86 | 4 | 2 | 1 | 43 | 117.216 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.02 | -0.07 | -37.76 | 4 | 2 | 1 | 40 | 117.216 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0675185A2; EP0675185A3; EP0694571A1 | IBM Patent Data |
