| 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) | 3.95 | 5.17 | -11.99 | 3 | 6 | 0 | 89 | 462.731 | 4 | ↓ |
| Ref Reference (pH 7) | 3.95 | 5.15 | -9.35 | 3 | 6 | 0 | 89 | 462.731 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 5.55 | -41.74 | 1 | 6 | -1 | 88 | 461.723 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 5.11 | -52.33 | 1 | 6 | -1 | 88 | 461.723 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.95 | 5.89 | -37.04 | 2 | 6 | -1 | 92 | 461.723 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | 5.92 | -46.1 | 2 | 6 | -1 | 92 | 461.723 | 4 | ↓ |
