| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2012 | 22 | 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) | 0.86 | 5.35 | -53.38 | 2 | 7 | 1 | 73 | 305.358 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 4.05 | -8.63 | 1 | 7 | 0 | 69 | 304.35 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0882717A1 | IBM Patent Data |
