| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 29 | 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) | 2.32 | 14.97 | -26.54 | 0 | 7 | 0 | 80 | 405.845 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 15.18 | -58.75 | 0 | 7 | -1 | 82 | 404.837 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 15.66 | -31.11 | 2 | 7 | 1 | 85 | 406.853 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 15.31 | -46.18 | 1 | 7 | 1 | 82 | 406.853 | 3 | ↓ |
