| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2005 | 17 | 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) | 1.55 | 5.13 | -9.65 | 0 | 6 | 0 | 89 | 232.195 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 4.22 | -14.88 | 0 | 6 | 0 | 89 | 232.195 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4001259 | IBM Patent Data |
