| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2008 | 33 | 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) | 2.17 | 8.23 | -32.39 | 3 | 11 | 0 | 169 | 444.407 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 5.58 | -83.87 | 1 | 11 | -2 | 179 | 442.391 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 7.49 | -42.97 | 2 | 11 | -1 | 176 | 443.399 | 5 | ↓ |
