| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2009 | 33 | 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) | 5.13 | 7.8 | -16.03 | 3 | 8 | 0 | 112 | 440.459 | 6 | ↓ |
| Ref Reference (pH 7) | 6.86 | 7.11 | -19.84 | 3 | 8 | 0 | 116 | 440.459 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.86 | 8.1 | -67.22 | 2 | 8 | -1 | 119 | 439.451 | 6 | ↓ |
