| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 31 | 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) | 3.07 | 10.13 | -71.8 | 1 | 7 | 0 | 87 | 426.513 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 7.89 | -59.03 | 0 | 7 | -1 | 86 | 425.505 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 9.32 | -52.33 | 2 | 7 | 1 | 84 | 427.521 | 10 | ↓ |
