| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 30 | 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) | 4.65 | 6.44 | -9.24 | 3 | 6 | 0 | 89 | 425.916 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.63 | 6.42 | -53.83 | 1 | 6 | -1 | 88 | 424.908 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.63 | 6.85 | -43.84 | 1 | 6 | -1 | 88 | 424.908 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.65 | 7.2 | -39.6 | 2 | 6 | -1 | 92 | 424.908 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.65 | 7.21 | -47.67 | 2 | 6 | -1 | 92 | 424.908 | 5 | ↓ |
