| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2005 | 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) | 2.96 | 4 | -14.12 | 3 | 7 | 0 | 99 | 379.416 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 4.77 | -52.68 | 1 | 7 | -1 | 98 | 378.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 4.7 | -57.88 | 1 | 7 | -1 | 98 | 378.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 5.08 | -38.75 | 2 | 7 | -1 | 102 | 378.408 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 4.78 | -52.16 | 2 | 7 | -1 | 102 | 378.408 | 5 | ↓ |
