| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 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) | 4.72 | 10 | -13.64 | 2 | 6 | 0 | 78 | 443.478 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.70 | 9.68 | -57.28 | 0 | 6 | -1 | 77 | 442.47 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.70 | 9.89 | -51.68 | 0 | 6 | -1 | 77 | 442.47 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.72 | 10.77 | -39.78 | 1 | 6 | -1 | 81 | 442.47 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.72 | 9.7 | -50.34 | 1 | 6 | -1 | 81 | 442.47 | 6 | ↓ |
