| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2009 | 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) | 3.58 | 9.92 | -50.44 | 1 | 7 | 0 | 83 | 463.317 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 7.4 | -34.66 | 0 | 7 | -1 | 82 | 462.309 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 8.79 | -59.55 | 2 | 7 | 1 | 81 | 464.325 | 6 | ↓ |
