| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 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) | 1.38 | 5.61 | -43.63 | 3 | 3 | 1 | 44 | 226.303 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 5.21 | -7.47 | 2 | 3 | 0 | 42 | 225.295 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 5.57 | -25.92 | 3 | 3 | 1 | 43 | 226.303 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 5.96 | -108.77 | 4 | 3 | 2 | 45 | 227.311 | 2 | ↓ |
