| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 33 | No |
None
| 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) | 2.83 | 7.5 | -30.15 | 1 | 8 | 0 | 89 | 454.523 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 5.14 | -43.22 | 0 | 8 | -1 | 87 | 453.515 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 7.46 | -47.73 | 1 | 8 | 0 | 89 | 454.523 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 7.17 | -51.77 | 2 | 8 | 1 | 86 | 455.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 7.04 | -53.1 | 2 | 8 | 1 | 86 | 455.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 4.52 | -12.05 | 1 | 8 | 0 | 85 | 454.523 | 6 | ↓ |
