| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 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) | 2.61 | 7.57 | -117.72 | 0 | 8 | -2 | 119 | 443.839 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 7.04 | -51.24 | 0 | 8 | -1 | 113 | 444.847 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 6.7 | -55.21 | 1 | 8 | -1 | 116 | 444.847 | 8 | ↓ |
