| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 32 | 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) | 4.75 | 8.8 | -13.5 | 2 | 6 | 0 | 82 | 509.791 | 4 | ↓ |
| Ref Reference (pH 7) | 4.75 | 8.89 | -11.35 | 2 | 6 | 0 | 82 | 509.791 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.72 | 10.1 | -40.38 | 0 | 6 | -1 | 81 | 508.783 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.72 | 9.63 | -51.23 | 0 | 6 | -1 | 81 | 508.783 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.75 | 9.86 | -33.93 | 1 | 6 | -1 | 85 | 508.783 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.75 | 9.65 | -47.61 | 1 | 6 | -1 | 85 | 508.783 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.75 | 9.28 | -39.71 | 3 | 6 | 1 | 83 | 510.799 | 4 | ↓ |
