| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 12 | 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) | -0.13 | 1.03 | -60.92 | 4 | 4 | 1 | 69 | 163.204 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 0.63 | -44.16 | 3 | 4 | 0 | 68 | 162.196 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0869787A1; EP1019383A2; WO1997024119A1; WO1997024336A2 | IBM Patent Data |
