| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2009 | 26 | Yes |
| 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) | -3.98 | -9.33 | -85.48 | 11 | 12 | 1 | 225 | 380.374 | 5 | ↓ |
| Hi High (pH 8-9.5) | -3.97 | -8.36 | -30.54 | 10 | 12 | 0 | 223 | 379.366 | 5 | ↓ |
| Hi High (pH 8-9.5) | -4.10 | -7.76 | -23.21 | 10 | 12 | 0 | 226 | 379.366 | 4 | ↓ |
| Hi High (pH 8-9.5) | -4.10 | -7.43 | -34.55 | 10 | 12 | 0 | 226 | 379.366 | 4 | ↓ |
