| 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) | 5.22 | 9.23 | -10.66 | 2 | 6 | 0 | 82 | 499.785 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.20 | 10.45 | -39.85 | 0 | 6 | -1 | 81 | 498.777 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.20 | 9.99 | -49.66 | 0 | 6 | -1 | 81 | 498.777 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.22 | 10.2 | -33.14 | 1 | 6 | -1 | 85 | 498.777 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.22 | 10 | -45.9 | 1 | 6 | -1 | 85 | 498.777 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.22 | 10.31 | -43.03 | 3 | 6 | 1 | 83 | 500.793 | 4 | ↓ |
