| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 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) | 3.20 | 5.4 | -15.56 | 3 | 8 | 0 | 108 | 449.507 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 5.04 | -62.6 | 1 | 8 | -1 | 107 | 448.499 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 6.15 | -56.27 | 1 | 8 | -1 | 107 | 448.499 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 6.41 | -47.71 | 2 | 8 | -1 | 111 | 448.499 | 8 | ↓ |
