| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 34 | 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) | 2.86 | 6.52 | -46.53 | 2 | 8 | 1 | 85 | 496.625 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 5.46 | -14.38 | 1 | 8 | 0 | 80 | 495.617 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 8.87 | -93.77 | 3 | 8 | 2 | 86 | 497.633 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4971990 | IBM Patent Data |
