| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 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) | 2.23 | 6.51 | -49.24 | 3 | 2 | 1 | 41 | 247.749 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 6.22 | -5.87 | 2 | 2 | 0 | 39 | 246.741 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 6.97 | -113.6 | 4 | 2 | 2 | 42 | 248.757 | 4 | ↓ |
