| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 18 | Yes |
Popular Name: 2-[[4-(2-aminoethyl)-1-piperidyl]methyl]-5-hydroxy-pyran-4-one 2-[[4-(2-aminoethyl)-1-piperidyl…
| 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) | -0.39 | 3.89 | -124.61 | 4 | 5 | 1 | 85 | 253.322 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.39 | 3.02 | -117.06 | 5 | 5 | 2 | 83 | 254.33 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
