| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2008 | 29 | 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) | 3.06 | 2.2 | -46.06 | 1 | 7 | -1 | 102 | 426.396 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 4.41 | -40.22 | 1 | 7 | -1 | 98 | 426.396 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 2.12 | -123.37 | 0 | 7 | -2 | 104 | 425.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 4.5 | -9.98 | 2 | 7 | 0 | 96 | 427.404 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 1.39 | -11.14 | 2 | 7 | 0 | 99 | 427.404 | 5 | ↓ |
