| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 32 | 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) | -0.87 | -2.56 | -54.91 | 6 | 10 | -1 | 184 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | -1.59 | -132.4 | 4 | 10 | -2 | 184 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | -0.34 | -195.74 | 5 | 10 | -2 | 191 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -1.13 | -69.3 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | -3.14 | -60.44 | 8 | 10 | 1 | 183 | 445.448 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | -1.12 | -69.4 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | -0.34 | -126.19 | 5 | 10 | -1 | 185 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | -0.58 | -48.66 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
