| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (3S,4R)-3-(4-ethyl-4-methyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3S,4R)-3-(4-ethyl-4-methyl-1-pi…
| 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) | 2.99 | 6.13 | -32.89 | 2 | 3 | 1 | 26 | 269.453 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 4.3 | -0.8 | 1 | 3 | 0 | 24 | 268.445 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 5.43 | -35.48 | 2 | 3 | 1 | 29 | 269.453 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 7.31 | -116.46 | 3 | 3 | 2 | 30 | 270.461 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
