| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 29th, 2006 | 31 | No |
| 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) | 4.07 | 10.39 | -62.95 | 0 | 6 | -1 | 86 | 446.895 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 10.35 | -27.13 | 1 | 6 | 0 | 83 | 447.903 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 10.61 | -15.87 | 0 | 6 | 0 | 80 | 447.903 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 10.89 | -49 | 1 | 6 | 1 | 81 | 448.911 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.52 | 10.63 | -56.46 | 2 | 6 | 1 | 85 | 448.911 | 3 | ↓ |
