| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 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) | 4.06 | 5.84 | -12.77 | 3 | 6 | 0 | 89 | 411.889 | 5 | ↓ |
| Ref Reference (pH 7) | 4.06 | 5.63 | -12.49 | 3 | 6 | 0 | 89 | 411.889 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 5.99 | -53.54 | 1 | 6 | -1 | 88 | 410.881 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 6.3 | -50.91 | 1 | 6 | -1 | 88 | 410.881 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 6.6 | -44.1 | 2 | 6 | -1 | 92 | 410.881 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 6.4 | -50.69 | 2 | 6 | -1 | 92 | 410.881 | 5 | ↓ |
