| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 34 | No |
| 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) | 0.07 | 5.68 | -69.39 | 3 | 12 | -1 | 172 | 503.542 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 6.14 | -82.95 | 4 | 12 | 0 | 173 | 504.55 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4918070; US5049665 | IBM Patent Data |
