| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2006 | 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) | 3.86 | 5.39 | -12.45 | 3 | 6 | 0 | 89 | 411.889 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 6.01 | -53.68 | 1 | 6 | -1 | 88 | 410.881 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 5.78 | -49.33 | 1 | 6 | -1 | 88 | 410.881 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 6.32 | -42.44 | 2 | 6 | -1 | 92 | 410.881 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 6.15 | -50.17 | 2 | 6 | -1 | 92 | 410.881 | 5 | ↓ |
