| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2010 | 27 | 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) | 4.76 | 7.32 | -49.8 | 2 | 5 | -1 | 90 | 385.427 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.76 | 7.84 | -107.77 | 1 | 5 | -2 | 93 | 384.419 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.76 | 5.34 | -10.39 | 3 | 5 | 0 | 87 | 386.435 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4317906; US4341710; US4463183 | IBM Patent Data |
