| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2007 | 37 | 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) | 4.55 | 12.45 | -42.51 | 0 | 7 | -1 | 92 | 497.571 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 0.61 | -22.75 | 0 | 7 | 0 | 85 | 498.579 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.55 | 0.78 | -42.22 | 2 | 7 | 1 | 90 | 499.587 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 0.72 | -50.04 | 1 | 7 | 1 | 87 | 499.587 | 11 | ↓ |
