| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 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) | 3.38 | 10.53 | -69.49 | 1 | 6 | 0 | 74 | 426.488 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 7.98 | -56.56 | 0 | 6 | -1 | 73 | 425.48 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 9.71 | -51.91 | 2 | 6 | 1 | 71 | 427.496 | 8 | ↓ |
