| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 25 | 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) | 0.00 | 7.98 | -67.84 | 1 | 6 | -1 | 86 | 345.35 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 5.98 | -16.85 | 2 | 6 | 0 | 83 | 346.358 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.72 | 6.15 | -29.65 | 2 | 6 | 0 | 89 | 346.358 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5393758 | IBM Patent Data |
