| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 20 | Yes |
| 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) | 3.94 | 5.16 | -7.64 | 2 | 3 | 0 | 45 | 284.746 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 5.92 | -38.58 | 1 | 3 | -1 | 48 | 283.738 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.94 | 5.6 | -31.73 | 3 | 3 | 1 | 46 | 285.754 | 3 | ↓ |
