| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 36 | 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) | 3.99 | 15.7 | -177.37 | 3 | 7 | 3 | 47 | 490.72 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 12.28 | -21.45 | 1 | 7 | 1 | 44 | 488.704 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 12.25 | -12.13 | 0 | 7 | 0 | 43 | 487.696 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 13.35 | -83.32 | 2 | 7 | 2 | 46 | 489.712 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 16.07 | -273.08 | 4 | 7 | 4 | 48 | 491.728 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 14.64 | -81.5 | 2 | 7 | 2 | 46 | 489.712 | 6 | ↓ |
