| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 31 | 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) | 2.54 | 6.78 | -51.15 | 4 | 8 | 1 | 100 | 449.959 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.55 | -14.03 | 3 | 8 | 0 | 99 | 448.951 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 7.2 | -105.52 | 5 | 8 | 2 | 101 | 450.967 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4906643; US5130312 | IBM Patent Data |
