| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2006 | 12 | 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) | -0.58 | -4.99 | -13.92 | 5 | 5 | 0 | 106 | 188.208 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | -4.13 | -44.33 | 4 | 5 | -1 | 109 | 187.2 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0035161A2; EP0049814A2; EP0073454A2; US4362725; US4370327; US4454128 | IBM Patent Data |
