| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: 4-(aminomethyl)-1-ethyl-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-4-amine 4-(aminomethyl)-1-ethyl-N-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) | 0.89 | 4.14 | -104.77 | 4 | 4 | 2 | 45 | 271.449 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 3.79 | -32.62 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 3.5 | -29.59 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
