| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 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) | 4.00 | 5.71 | -10.9 | 3 | 6 | 0 | 91 | 339.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.00 | 6.49 | -52.62 | 2 | 6 | -1 | 94 | 338.387 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 6.07 | -35.89 | 4 | 6 | 1 | 92 | 340.403 | 7 | ↓ |
