| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2008 | 26 | 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) | 5.95 | 7.45 | -11.36 | 2 | 5 | 0 | 75 | 453.745 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.46 | 8.26 | -91.78 | 0 | 5 | -2 | 76 | 451.729 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.95 | 8.3 | -44.64 | 1 | 5 | -1 | 78 | 452.737 | 4 | ↓ |
