| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 37 | 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) | 4.72 | 7.96 | -16.04 | 3 | 8 | 0 | 108 | 519.985 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.70 | 7.8 | -55.02 | 1 | 8 | -1 | 107 | 518.977 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.70 | 7.77 | -51.2 | 1 | 8 | -1 | 107 | 518.977 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.72 | 8.76 | -45.38 | 2 | 8 | -1 | 111 | 518.977 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.72 | 8.73 | -52.61 | 2 | 8 | -1 | 111 | 518.977 | 7 | ↓ |
