| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 23 | 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) | -1.21 | 3.21 | -36.87 | 5 | 7 | 0 | 126 | 321.377 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.21 | 2.9 | -48.44 | 4 | 7 | -1 | 124 | 320.369 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0736037A1; WO1995017418A2 | IBM Patent Data |
