| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2008 | 35 | No |
| 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) | 2.69 | 7.07 | -50.14 | 1 | 8 | -1 | 112 | 473.505 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 7.41 | -14.41 | 2 | 8 | 0 | 109 | 474.513 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 7.89 | -14.85 | 1 | 8 | 0 | 106 | 474.513 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.11 | 8.17 | -52.06 | 2 | 8 | 1 | 107 | 475.521 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 7.69 | -46.72 | 3 | 8 | 1 | 110 | 475.521 | 8 | ↓ |
