| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 17 | 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) | 1.71 | 6.59 | -9.05 | 1 | 3 | 0 | 50 | 233.242 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 6.59 | -47.24 | 0 | 3 | -1 | 53 | 232.234 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0342775A1; EP0342775B1; US5143920 | IBM Patent Data |
