| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 16 | 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) | -1.12 | 2.23 | -88.9 | 3 | 5 | 2 | 45 | 228.34 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.12 | -1.5 | -8.49 | 1 | 5 | 0 | 39 | 226.324 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.12 | 2.13 | -99.5 | 3 | 5 | 2 | 45 | 228.34 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.12 | 0.94 | -37.71 | 2 | 5 | 1 | 40 | 227.332 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.12 | -0.15 | -49.26 | 2 | 5 | 1 | 43 | 227.332 | 2 | ↓ |
