| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 33 | 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) | 2.81 | 7.01 | -62.1 | 1 | 8 | -1 | 112 | 448.451 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 6.62 | -20.93 | 2 | 8 | 0 | 109 | 449.459 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.28 | -14.45 | 1 | 8 | 0 | 106 | 449.459 | 8 | ↓ |
