| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2009 | 20 | No |
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) | -0.90 | -4.76 | -12.87 | 4 | 8 | 0 | 125 | 349.137 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | -7.4 | -52.41 | 3 | 8 | -1 | 128 | 348.129 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0233493A2; US4544740; US5064946 | IBM Patent Data |
