| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | 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) | 2.32 | 6.97 | -11.51 | 2 | 3 | 0 | 37 | 322.231 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 7.14 | -37.73 | 1 | 3 | -1 | 37 | 321.223 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | -3.57 | -46.29 | 3 | 3 | 1 | 38 | 323.239 | 5 | ↓ |
