| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 9 | 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) | 0.92 | -0.68 | -36.19 | 4 | 2 | 1 | 48 | 130.211 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | -0.7 | -2.84 | 3 | 2 | 0 | 46 | 129.203 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0538332A1; EP0538332B1; US5393755 | IBM Patent Data |
