| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 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) | 3.80 | 5.07 | -11.75 | 3 | 6 | 0 | 89 | 418.28 | 4 | ↓ |
| Ref Reference (pH 7) | 3.80 | 5.03 | -9.2 | 3 | 6 | 0 | 89 | 418.28 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 5.43 | -42.66 | 1 | 6 | -1 | 88 | 417.272 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 5.01 | -50.86 | 1 | 6 | -1 | 88 | 417.272 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 5.79 | -37.06 | 2 | 6 | -1 | 92 | 417.272 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 5.8 | -45.71 | 2 | 6 | -1 | 92 | 417.272 | 4 | ↓ |
