| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 31 | 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) | 3.59 | 5.66 | -10.72 | 3 | 7 | 0 | 99 | 419.481 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 6.04 | -48.88 | 1 | 7 | -1 | 98 | 418.473 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 5.6 | -58.25 | 1 | 7 | -1 | 98 | 418.473 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 6.39 | -42.99 | 2 | 7 | -1 | 102 | 418.473 | 7 | ↓ |
