| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 13 | Yes |
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) | 2.14 | 2.73 | -7.46 | 1 | 3 | 0 | 47 | 245.072 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 3.65 | -41.22 | 0 | 3 | -1 | 49 | 244.064 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0901476A1; EP0920318A1; US6124300; WO1997035580A1; WO1997035846A1 | IBM Patent Data |
