| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 31 | 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) | 3.25 | 8.75 | -58.54 | 0 | 6 | -1 | 83 | 433.871 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | -0.53 | -12.4 | 0 | 6 | 0 | 76 | 434.879 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.70 | -0.27 | -42.1 | 2 | 6 | 1 | 80 | 435.887 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | -0.42 | -43.87 | 1 | 6 | 1 | 77 | 435.887 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 7.92 | -15.86 | 1 | 6 | 0 | 80 | 434.879 | 6 | ↓ |
