| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2008 | 21 | 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) | 3.17 | 4.68 | -11.98 | 1 | 5 | 0 | 68 | 326.805 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 4.76 | -45.54 | 0 | 5 | -1 | 70 | 325.797 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 4.97 | -38.41 | 2 | 5 | 1 | 70 | 327.813 | 6 | ↓ |
