| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 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) | 3.80 | 4.1 | -45.29 | 1 | 6 | -1 | 95 | 461.235 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 4.87 | -93.06 | 0 | 6 | -2 | 98 | 460.227 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 6.76 | -9.57 | 2 | 6 | 0 | 92 | 462.243 | 3 | ↓ |
