| 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) | 4.85 | 10.26 | -12.94 | 2 | 6 | 0 | 82 | 458.949 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.83 | 10.84 | -42.83 | 0 | 6 | -1 | 81 | 457.941 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.83 | 10.6 | -52.42 | 0 | 6 | -1 | 81 | 457.941 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.85 | 11.02 | -49.66 | 1 | 6 | -1 | 85 | 457.941 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.85 | -2.55 | -36.95 | 3 | 6 | 1 | 83 | 459.957 | 5 | ↓ |
