| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 32 | 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) | 4.10 | 9.18 | -15.76 | 2 | 6 | 0 | 82 | 448.885 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 9 | -54.11 | 0 | 6 | -1 | 81 | 447.877 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 9.15 | -48.36 | 0 | 6 | -1 | 81 | 447.877 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 9.92 | -46.69 | 1 | 6 | -1 | 85 | 447.877 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 8.61 | -38.21 | 3 | 6 | 1 | 83 | 449.893 | 4 | ↓ |
