| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 2006 | 29 | 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) | 3.45 | 7.93 | -63.21 | 0 | 6 | -1 | 79 | 414.865 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | -0.17 | -16.84 | 1 | 6 | 0 | 76 | 415.873 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | -0.25 | -26.91 | 0 | 6 | 0 | 72 | 415.873 | 8 | ↓ |
