| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 25 | 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) | 2.31 | 9.14 | -71.78 | 1 | 5 | 0 | 65 | 356.447 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 6.6 | -58.47 | 0 | 5 | -1 | 64 | 355.439 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 8.83 | -44.34 | 1 | 5 | 1 | 59 | 357.455 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 8.32 | -49.7 | 2 | 5 | 1 | 62 | 357.455 | 6 | ↓ |
