| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 17 | No |
| 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) | 4.33 | 5.65 | -6.44 | 1 | 2 | 0 | 33 | 225.291 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 7.63 | -49.45 | 0 | 2 | -1 | 35 | 224.283 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 6.43 | -41.08 | 0 | 2 | -1 | 35 | 224.283 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 6.09 | -31.5 | 2 | 2 | 1 | 34 | 226.299 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 7.5 | -28.98 | 2 | 2 | 1 | 34 | 226.299 | 3 | ↓ |
