| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | 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) | 3.25 | 7.29 | -36.92 | 3 | 3 | 1 | 40 | 317.906 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 4.93 | -2.41 | 2 | 3 | 0 | 38 | 316.898 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 5.25 | -41.92 | 3 | 3 | 1 | 40 | 317.906 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 7.62 | -117.19 | 4 | 3 | 2 | 41 | 318.914 | 6 | ↓ |
