| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 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) | 3.05 | 7.79 | -61.59 | 1 | 8 | -1 | 112 | 487.532 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 7.87 | -19.11 | 2 | 8 | 0 | 109 | 488.54 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 8.94 | -14.34 | 1 | 8 | 0 | 106 | 488.54 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 8.15 | -51.7 | 3 | 8 | 1 | 110 | 489.548 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 9.22 | -51.05 | 2 | 8 | 1 | 107 | 489.548 | 9 | ↓ |
