| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 27 | 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) | 3.28 | 11.06 | -12.65 | 0 | 4 | 0 | 68 | 453.398 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | 10.88 | -108.46 | 0 | 4 | -2 | 80 | 451.382 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 11.25 | -42.51 | 0 | 4 | -1 | 74 | 452.39 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | 10.83 | -35.2 | 1 | 4 | -1 | 77 | 452.39 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | 9.72 | -36.22 | 1 | 4 | -1 | 77 | 452.39 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 10.96 | -35.99 | 0 | 4 | -1 | 74 | 452.39 | 3 | ↓ |
