| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 35 | 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) | 3.38 | -3.61 | -13.86 | 3 | 7 | 0 | 98 | 490.991 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | -3.47 | -42.11 | 4 | 7 | 1 | 99 | 491.999 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999043663A1; WO2000066578A1 | IBM Patent Data |
