| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 33 | 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) | 3.44 | 4.99 | -17.52 | 3 | 8 | 0 | 108 | 471.941 | 8 | ↓ |
| Ref Reference (pH 7) | 3.44 | 4.84 | -15.99 | 3 | 8 | 0 | 108 | 471.941 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 5.37 | -57.45 | 1 | 8 | -1 | 107 | 470.933 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 5.25 | -49.78 | 1 | 8 | -1 | 107 | 470.933 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 5.77 | -42.86 | 2 | 8 | -1 | 111 | 470.933 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 5.6 | -53.4 | 2 | 8 | -1 | 111 | 470.933 | 8 | ↓ |
