| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 39 | 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) | 4.55 | 11.4 | -61.55 | 0 | 7 | -1 | 82 | 525.625 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.55 | 14.05 | -46.87 | 2 | 7 | 1 | 81 | 527.641 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 0.01 | -48.96 | 1 | 7 | 1 | 77 | 527.641 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.55 | 13.73 | -73.7 | 1 | 7 | 0 | 83 | 526.633 | 10 | ↓ |
