| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 17 | 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) | -0.53 | 0.5 | -42.98 | 3 | 5 | 1 | 62 | 235.311 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.53 | -0.94 | -10.68 | 2 | 5 | 0 | 57 | 234.303 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.53 | 1.67 | -88.05 | 4 | 5 | 2 | 60 | 236.319 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.53 | 2.69 | -114.76 | 4 | 5 | 2 | 63 | 236.319 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.53 | 0.9 | -83.17 | 4 | 5 | 2 | 63 | 236.319 | 4 | ↓ |
