| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 12 | 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) | -0.09 | -3.65 | -10.71 | 4 | 5 | 0 | 92 | 188.208 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | -2.86 | -45.24 | 3 | 5 | -1 | 95 | 187.2 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0400460A1; EP0400460B1; US5078909 | IBM Patent Data |
