| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 32 | 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) | 0.81 | 12.36 | -81.13 | 2 | 8 | -1 | 134 | 455.874 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 11.37 | -142.45 | 1 | 8 | -2 | 130 | 454.866 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 10.38 | -54.93 | 3 | 8 | 0 | 131 | 456.882 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 9.38 | -42.15 | 3 | 8 | 0 | 131 | 456.882 | 5 | ↓ |
