| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 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) | 3.66 | 5.13 | -12.73 | 3 | 6 | 0 | 89 | 418.28 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 4.96 | -51 | 1 | 6 | -1 | 88 | 417.272 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 4.98 | -57.59 | 1 | 6 | -1 | 88 | 417.272 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 5.93 | -44.48 | 2 | 6 | -1 | 92 | 417.272 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 5.92 | -51.03 | 2 | 6 | -1 | 92 | 417.272 | 5 | ↓ |
