| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 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 | 14.5 | -26.69 | 0 | 7 | 0 | 80 | 405.845 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 15.23 | -59.02 | 0 | 7 | -1 | 82 | 404.837 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 15.72 | -31.29 | 2 | 7 | 1 | 85 | 406.853 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 14.84 | -46.03 | 1 | 7 | 1 | 82 | 406.853 | 3 | ↓ |
