| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 35 | 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) | 3.77 | 9.87 | -67.83 | 1 | 8 | 0 | 96 | 478.545 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 7.55 | -61.84 | 0 | 8 | -1 | 95 | 477.537 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 9.05 | -45.37 | 2 | 8 | 1 | 94 | 479.553 | 10 | ↓ |
