| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2007 | 29 | 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) | 3.87 | 10.29 | -13.97 | 2 | 5 | 0 | 78 | 422.941 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.39 | -1.51 | -11.9 | 1 | 5 | 0 | 78 | 422.941 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.39 | 0.13 | -14.7 | 1 | 5 | 0 | 78 | 422.941 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | -1.16 | -11.38 | 1 | 5 | 0 | 78 | 422.941 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.39 | -1.4 | -43.83 | 2 | 5 | 1 | 79 | 423.949 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.82 | 0.11 | -43.96 | 2 | 5 | 1 | 79 | 423.949 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.39 | 0.24 | -44.02 | 2 | 5 | 1 | 79 | 423.949 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.20 | -1.05 | -41.88 | 2 | 5 | 1 | 79 | 423.949 | 6 | ↓ |
