| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 23 | 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) | 2.32 | 8.3 | -19.42 | 1 | 7 | 0 | 101 | 326.337 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 6.57 | -57.49 | 0 | 7 | -1 | 107 | 325.329 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | -0.41 | -44.76 | 2 | 7 | 1 | 101 | 327.345 | 4 | ↓ |
