| 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 | 8.77 | -9.89 | 2 | 6 | 0 | 82 | 465.34 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 9.98 | -41.04 | 0 | 6 | -1 | 81 | 464.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 9.53 | -49.66 | 0 | 6 | -1 | 81 | 464.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 9.75 | -33.81 | 1 | 6 | -1 | 85 | 464.332 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 9.54 | -46.07 | 1 | 6 | -1 | 85 | 464.332 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.59 | 9.13 | -41.47 | 3 | 6 | 1 | 83 | 466.348 | 4 | ↓ |
