| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 22 | 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) | -0.71 | 8.39 | -50.38 | 3 | 8 | 1 | 96 | 298.33 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 8.42 | -21.14 | 2 | 8 | 0 | 95 | 297.322 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 8.91 | -87.78 | 4 | 8 | 2 | 97 | 299.338 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
