| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2007 | 37 | 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) | 5.07 | 10.4 | -58.18 | 0 | 7 | -1 | 82 | 526.053 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.49 | 13.44 | -49.58 | 1 | 7 | 1 | 77 | 528.069 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.52 | 13.46 | -52.21 | 2 | 7 | 1 | 81 | 528.069 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.07 | 12.73 | -72.35 | 1 | 7 | 0 | 83 | 527.061 | 11 | ↓ |
