| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2009 | 33 | 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) | 2.34 | 7.83 | -82.82 | 1 | 9 | 0 | 102 | 454.479 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 5.29 | -60.17 | 0 | 9 | -1 | 101 | 453.471 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 6.53 | -64.18 | 2 | 9 | 1 | 99 | 455.487 | 8 | ↓ |
