| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 30 | No |
| 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) | 4.93 | 12.19 | -36.11 | 1 | 5 | -1 | 81 | 422.867 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.93 | 12.37 | -45.02 | 1 | 5 | -1 | 81 | 422.867 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.93 | 10.75 | -19.21 | 2 | 5 | 0 | 78 | 423.875 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.93 | 11.04 | -46.91 | 3 | 5 | 1 | 80 | 424.883 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.93 | 10.68 | -19.22 | 2 | 5 | 0 | 78 | 423.875 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.93 | 10.85 | -18.74 | 2 | 5 | 0 | 78 | 423.875 | 4 | ↓ |
