| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 12 | 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) | -2.68 | 1.96 | -33.2 | 4 | 5 | 0 | 96 | 169.184 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.68 | 1.6 | -47.39 | 3 | 5 | -1 | 95 | 168.176 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.68 | 1.54 | -42.91 | 3 | 5 | -1 | 95 | 168.176 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.68 | 2.28 | -80.14 | 5 | 5 | 1 | 98 | 170.192 | 3 | ↓ |
