| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 17 | 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) | 3.39 | 8.67 | -53.43 | 0 | 4 | -1 | 66 | 243.323 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 7.55 | -10.01 | 1 | 4 | 0 | 64 | 244.331 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0621270A1; EP0621270B1; US5643908 | IBM Patent Data |
