| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2008 | 16 | 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) | -1.83 | 0.15 | -45.1 | 2 | 7 | -1 | 120 | 226.164 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.83 | 0.43 | -62.46 | 3 | 7 | 0 | 121 | 227.172 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5352388; WO1991016657A1 | IBM Patent Data |
