| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 28 | 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) | 3.38 | 6.28 | -56.12 | 1 | 7 | -1 | 103 | 449.277 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 7.2 | -107.81 | 0 | 7 | -2 | 106 | 448.269 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 5.39 | -13.39 | 2 | 7 | 0 | 100 | 450.285 | 7 | ↓ |
