| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2006 | 32 | 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) | 3.65 | 7.37 | -13.08 | 1 | 7 | 0 | 117 | 431.54 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 3.33 | -111.74 | 3 | 7 | 2 | 119 | 433.556 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.65 | 9.85 | -57.36 | 2 | 7 | 1 | 118 | 432.548 | 6 | ↓ |
