| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 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) | -0.69 | -3.39 | -51.23 | 6 | 10 | -1 | 184 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.42 | -0.91 | -65.33 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | -2.4 | -107.14 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | -1.54 | -135.04 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.42 | -2.7 | -46.39 | 8 | 10 | 1 | 183 | 445.448 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | -0.95 | -50 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.27 | -1.26 | -141.15 | 5 | 10 | -1 | 185 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | 0.47 | -122.31 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
