| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 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) | 1.42 | 7.87 | -60.39 | 0 | 8 | -1 | 108 | 425.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 6.64 | -29.4 | 1 | 8 | 0 | 106 | 426.429 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 7.84 | -20.04 | 0 | 8 | 0 | 102 | 426.429 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 6.93 | -56.78 | 2 | 8 | 1 | 107 | 427.437 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 8.12 | -47.02 | 1 | 8 | 1 | 104 | 427.437 | 5 | ↓ |
