| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2006 | 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) | 4.15 | 7.87 | -16.43 | 3 | 8 | 0 | 108 | 499.567 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 7.51 | -64.56 | 1 | 8 | -1 | 107 | 498.559 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 8.62 | -57.37 | 1 | 8 | -1 | 107 | 498.559 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 8.88 | -48.88 | 2 | 8 | -1 | 111 | 498.559 | 8 | ↓ |
