| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2006 | 21 | 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) | 2.71 | 4.59 | -48.84 | 4 | 3 | 1 | 57 | 284.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 3.43 | -6.08 | 3 | 3 | 0 | 52 | 283.371 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5198586; US5235103 | IBM Patent Data |
