| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 25 | 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) | 4.40 | 7.57 | -11.63 | 1 | 5 | 0 | 68 | 416.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.86 | 6.69 | -43.11 | 0 | 5 | -1 | 71 | 415.292 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.40 | 7.83 | -33.61 | 2 | 5 | 1 | 69 | 417.308 | 3 | ↓ |
