| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 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) | -0.62 | 2.6 | -53.69 | 5 | 6 | 1 | 97 | 193.234 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.62 | -1.51 | -94.62 | 6 | 6 | 2 | 99 | 194.242 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.62 | 2.86 | -101.08 | 6 | 6 | 2 | 99 | 194.242 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0853084A3 | IBM Patent Data |
