| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 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) | 4.17 | 8.79 | -34.24 | 2 | 6 | 0 | 84 | 411.527 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.63 | 7.41 | -63.85 | 1 | 6 | -1 | 87 | 410.519 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 9.38 | -23.44 | 2 | 6 | 0 | 84 | 411.527 | 4 | ↓ |
