| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 28 | 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) | 1.89 | 7.6 | -68.63 | 1 | 7 | -1 | 87 | 406.821 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 8.84 | -111.36 | 2 | 7 | 0 | 91 | 407.829 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.89 | 6.84 | -67.45 | 3 | 7 | 1 | 88 | 408.837 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4990517; US5059597; US5416096; US5607942 | IBM Patent Data |
