| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2010 | 32 | 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) | 2.72 | 9.22 | -107.57 | 5 | 7 | 0 | 119 | 444.482 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 8.94 | -67.55 | 4 | 7 | -1 | 117 | 443.474 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 7.97 | -82.36 | 6 | 7 | 1 | 122 | 445.49 | 3 | ↓ |
