| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 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) | 3.97 | 12.03 | -51.68 | 2 | 9 | 1 | 87 | 528.029 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 9.8 | -18.38 | 1 | 9 | 0 | 85 | 527.021 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 10.12 | -46.48 | 2 | 9 | 1 | 87 | 528.029 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 12.37 | -113.87 | 3 | 9 | 2 | 88 | 529.037 | 10 | ↓ |
