| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 32 | 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) | 4.94 | 12.63 | -11.83 | 2 | 7 | 0 | 85 | 483.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.12 | 12.46 | -36.89 | 1 | 7 | -1 | 86 | 482.376 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.94 | 12.89 | -40.87 | 3 | 7 | 1 | 86 | 484.392 | 4 | ↓ |
