| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 33 | 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) | 5.12 | 8.71 | -14.03 | 3 | 6 | 0 | 89 | 459.933 | 4 | ↓ |
| Ref Reference (pH 7) | 5.12 | 8.6 | -11.66 | 3 | 6 | 0 | 89 | 459.933 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.10 | 8.8 | -51.7 | 1 | 6 | -1 | 88 | 458.925 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.10 | 9.01 | -43.24 | 1 | 6 | -1 | 88 | 458.925 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.12 | 9.49 | -43.96 | 2 | 6 | -1 | 92 | 458.925 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.12 | 9.37 | -49.1 | 2 | 6 | -1 | 92 | 458.925 | 4 | ↓ |
