| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 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) | 4.59 | 9.57 | -10.04 | 2 | 6 | 0 | 82 | 465.34 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 9.45 | -50.74 | 0 | 6 | -1 | 81 | 464.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 9.6 | -48.14 | 0 | 6 | -1 | 81 | 464.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 10.39 | -42.31 | 1 | 6 | -1 | 85 | 464.332 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 10.35 | -45.93 | 1 | 6 | -1 | 85 | 464.332 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.59 | 9.08 | -38.17 | 3 | 6 | 1 | 83 | 466.348 | 4 | ↓ |
