| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2005 | 35 | 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) | 4.89 | 8.66 | -13 | 3 | 7 | 0 | 99 | 489.959 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.87 | 9.23 | -43.52 | 1 | 7 | -1 | 98 | 488.951 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.87 | 8.92 | -54.04 | 1 | 7 | -1 | 98 | 488.951 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.89 | 9.8 | -39.66 | 2 | 7 | -1 | 102 | 488.951 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.89 | 9.43 | -48.46 | 2 | 7 | -1 | 102 | 488.951 | 6 | ↓ |
