| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 35 | 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) | 3.51 | 11.27 | -43.29 | 0 | 7 | -1 | 92 | 469.517 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | -0.52 | -28.39 | 1 | 7 | 0 | 88 | 470.525 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | -0.31 | -21.74 | 0 | 7 | 0 | 85 | 470.525 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | 10.13 | -58.89 | 2 | 7 | 1 | 90 | 471.533 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 11.13 | -60.52 | 1 | 7 | 1 | 87 | 471.533 | 6 | ↓ |
