| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 30 | 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) | 0.15 | 4.94 | -64.02 | 2 | 7 | -1 | 107 | 440.526 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 6.45 | -42.16 | 3 | 7 | -1 | 102 | 440.526 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 6.46 | -22.48 | 3 | 7 | 0 | 96 | 441.534 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 4.93 | -30.09 | 2 | 7 | 0 | 99 | 441.534 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 4.98 | -30.91 | 2 | 7 | 0 | 107 | 441.534 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 4.79 | -62.43 | 1 | 7 | -1 | 106 | 440.526 | 3 | ↓ |
