| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 16 | Yes |
Popular Name: 2-[(4-amino-1-piperidyl)methyl]-5-hydroxy-pyran-4-one 2-[(4-amino-1-piperidyl)methyl]-…
| 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) | -1.16 | -0.63 | -57.99 | 4 | 5 | 1 | 81 | 225.268 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | 0.23 | -85.22 | 3 | 5 | 0 | 84 | 224.26 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.16 | 2.51 | -134.83 | 4 | 5 | 1 | 85 | 225.268 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.16 | 1.65 | -129.51 | 5 | 5 | 2 | 83 | 226.276 | 2 | ↓ |
