| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 13th, 2004 | 37 | 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) | 4.71 | 7.59 | -16.47 | 3 | 8 | 0 | 108 | 499.567 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.49 | 8.51 | -58.38 | 1 | 8 | -1 | 107 | 498.559 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.49 | 8.02 | -51.61 | 1 | 8 | -1 | 107 | 498.559 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 8.46 | -42.91 | 2 | 8 | -1 | 111 | 498.559 | 7 | ↓ |
