| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 29 | 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) | 1.24 | 4.21 | -72.68 | 3 | 7 | 0 | 107 | 396.443 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 2.72 | -62.22 | 2 | 7 | -1 | 102 | 395.435 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 3.39 | -52.56 | 4 | 7 | 1 | 104 | 397.451 | 9 | ↓ |
