| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 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) | 5.58 | 6.53 | -11.64 | 2 | 5 | 0 | 75 | 439.718 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.58 | 7.44 | -43.7 | 1 | 5 | -1 | 78 | 438.71 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.09 | 7.01 | -92.28 | 0 | 5 | -2 | 76 | 437.702 | 4 | ↓ |
