| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 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) | 0.78 | 3.83 | -110.43 | 4 | 3 | 2 | 35 | 225.38 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 1.42 | -43.58 | 3 | 3 | 1 | 34 | 224.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 5.5 | -94.24 | 4 | 3 | 2 | 35 | 225.38 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 3.77 | -33.48 | 3 | 3 | 1 | 34 | 224.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 3.24 | -109.92 | 4 | 3 | 2 | 35 | 225.38 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 5.67 | -214.88 | 5 | 3 | 3 | 37 | 226.388 | 2 | ↓ |
