| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 29 | 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) | 4.43 | 5.58 | -12.76 | 3 | 6 | 0 | 89 | 452.725 | 4 | ↓ |
| Ref Reference (pH 7) | 4.43 | 5.52 | -9.48 | 3 | 6 | 0 | 89 | 452.725 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.40 | 5.33 | -51 | 1 | 6 | -1 | 88 | 451.717 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.40 | 5.89 | -49.19 | 1 | 6 | -1 | 88 | 451.717 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.43 | 6.35 | -40.54 | 2 | 6 | -1 | 92 | 451.717 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.43 | 6.3 | -45.38 | 2 | 6 | -1 | 92 | 451.717 | 4 | ↓ |
