| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 28 | 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) | 3.93 | 5.23 | -12.41 | 3 | 6 | 0 | 89 | 462.731 | 4 | ↓ |
| Ref Reference (pH 7) | 3.93 | 5.17 | -9.4 | 3 | 6 | 0 | 89 | 462.731 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 4.97 | -50.88 | 1 | 6 | -1 | 88 | 461.723 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 5.54 | -50.81 | 1 | 6 | -1 | 88 | 461.723 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 6 | -43.23 | 2 | 6 | -1 | 92 | 461.723 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 5.94 | -46.45 | 2 | 6 | -1 | 92 | 461.723 | 4 | ↓ |
