| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 36 | 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) | 3.37 | 7.94 | -61.9 | 1 | 8 | -1 | 112 | 487.532 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | -1.45 | -15.02 | 1 | 8 | 0 | 106 | 488.54 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 7.85 | -13.04 | 2 | 8 | 0 | 109 | 488.54 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.82 | 8.13 | -48.12 | 3 | 8 | 1 | 110 | 489.548 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | -1.33 | -53.25 | 2 | 8 | 1 | 107 | 489.548 | 10 | ↓ |
