| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 35 | 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) | 1.94 | 7.86 | -24.81 | 2 | 9 | 0 | 114 | 495.605 | 11 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 6.79 | -51.3 | 1 | 9 | -1 | 120 | 494.597 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 8.3 | -61.48 | 3 | 9 | 1 | 115 | 496.613 | 11 | ↓ |
