| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 39 | 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) | 3.49 | 14.48 | -70.63 | 1 | 8 | 0 | 96 | 529.637 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 12.27 | -54.76 | 0 | 8 | -1 | 95 | 528.629 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 13.19 | -61.44 | 2 | 8 | 1 | 93 | 530.645 | 13 | ↓ |
