| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 24 | 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) | 2.78 | 5.74 | -31.85 | 2 | 6 | 0 | 76 | 324.336 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 4.58 | -48.69 | 1 | 6 | -1 | 79 | 323.328 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 4.56 | -56.56 | 1 | 6 | -1 | 79 | 323.328 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 3.78 | -11.03 | 2 | 6 | 0 | 77 | 324.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 3.84 | -9.49 | 2 | 6 | 0 | 77 | 324.336 | 3 | ↓ |
