| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2007 | 33 | 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) | 4.42 | -1.11 | -15.1 | 1 | 6 | 0 | 83 | 473.941 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | -1.3 | -20.79 | 0 | 6 | 0 | 80 | 473.941 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.84 | -1.19 | -59.52 | 1 | 6 | 1 | 81 | 474.949 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.42 | -1.31 | -60.57 | 2 | 6 | 1 | 85 | 474.949 | 4 | ↓ |
