| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2010 | 20 | 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) | 4.27 | 8.57 | -41.03 | 2 | 2 | 1 | 20 | 275.46 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.27 | 9.61 | -33.79 | 2 | 2 | 1 | 16 | 275.46 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.27 | 10.79 | -107.96 | 3 | 2 | 2 | 21 | 276.468 | 7 | ↓ |
