| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | Yes |
Popular Name: (3S,4S)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3S,4S)-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) | 1.21 | 4.15 | -113.48 | 4 | 3 | 2 | 41 | 228.38 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 2.21 | -1.4 | 2 | 3 | 0 | 38 | 226.364 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 2.68 | -43.03 | 3 | 3 | 1 | 40 | 227.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | 4.14 | -32.02 | 3 | 3 | 1 | 40 | 227.372 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
