| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2009 | 14 | 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) | 1.68 | 5.21 | -35.68 | 0 | 3 | -1 | 51 | 182.206 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 5.63 | -8.69 | 1 | 3 | 0 | 52 | 183.214 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 5.58 | -6.13 | 1 | 3 | 0 | 52 | 183.214 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0653421A1; EP0653421B1; US5552557 | IBM Patent Data |
