| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 26 | 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) | 4.42 | 6.31 | -43.2 | 1 | 5 | -1 | 78 | 471.139 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.42 | 7.09 | -88.62 | 0 | 5 | -2 | 81 | 470.131 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 8.28 | -12.53 | 2 | 5 | 0 | 75 | 472.147 | 2 | ↓ |
