| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 30 | 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) | 1.09 | 10.04 | -103.35 | 3 | 7 | 0 | 102 | 417.481 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 8.02 | -58.95 | 4 | 7 | 1 | 99 | 418.489 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -1.66 | 7.93 | -80.75 | 4 | 7 | 1 | 105 | 418.489 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5157128; US5364861 | IBM Patent Data |
