| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 28 | 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) | 3.84 | 10.41 | -67.44 | 1 | 5 | 0 | 65 | 463.397 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 8.05 | -59.83 | 0 | 5 | -1 | 64 | 462.389 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.84 | 9.59 | -46.7 | 2 | 5 | 1 | 62 | 464.405 | 8 | ↓ |
