| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 30 | 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) | 0.66 | 8.15 | -52.16 | 3 | 7 | 0 | 114 | 428.872 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 5.69 | -49.41 | 2 | 7 | -1 | 110 | 427.864 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 6.81 | -67.25 | 2 | 7 | -1 | 110 | 427.864 | 4 | ↓ |
