| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 27 | 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) | 3.31 | 3.3 | -46.06 | 1 | 7 | -1 | 104 | 477.234 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 4.23 | -96.99 | 0 | 7 | -2 | 107 | 476.226 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.85 | 5.96 | -11.23 | 2 | 7 | 0 | 101 | 478.242 | 3 | ↓ |
