| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 25 | 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) | 1.77 | 4.6 | -44.23 | 1 | 6 | -1 | 87 | 353.379 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 5.52 | -105.21 | 0 | 6 | -2 | 90 | 352.371 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 6.34 | -12.33 | 2 | 6 | 0 | 84 | 354.387 | 3 | ↓ |
