| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 25 | Yes |
None
| 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) | 3.55 | 5.81 | -11.51 | 1 | 5 | 0 | 55 | 338.407 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 8.09 | -50.79 | 2 | 5 | 1 | 56 | 339.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 6.63 | -83.09 | 3 | 5 | 2 | 61 | 340.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 4.36 | -27.68 | 2 | 5 | 1 | 60 | 339.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
