| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 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) | 4.68 | 12.63 | -63.18 | 0 | 6 | -1 | 83 | 469.561 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 1.52 | -11.61 | 0 | 6 | 0 | 76 | 470.569 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.13 | 2.01 | -52.13 | 2 | 6 | 1 | 80 | 471.577 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 1.63 | -47.55 | 1 | 6 | 1 | 77 | 471.577 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.68 | 11.66 | -15.64 | 1 | 6 | 0 | 80 | 470.569 | 7 | ↓ |
