| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2006 | 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) | 1.85 | -0.12 | -18.01 | 2 | 8 | 0 | 113 | 409.394 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 0.15 | -35.68 | 2 | 8 | 0 | 113 | 409.394 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | -0.34 | -26.33 | 1 | 8 | 0 | 110 | 409.394 | 6 | ↓ |
