| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 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) | 2.78 | 5.11 | -12.36 | 2 | 7 | 0 | 88 | 379.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 5.29 | -56.62 | 0 | 7 | -1 | 87 | 378.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 5.46 | -46.52 | 0 | 7 | -1 | 87 | 378.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 5.98 | -46.7 | 1 | 7 | -1 | 91 | 378.408 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 5.89 | -53.38 | 1 | 7 | -1 | 91 | 378.408 | 6 | ↓ |
