| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (2S)-2-(4,4-diethyl-1-piperidyl)-2-(4-pyridyl)ethanamine (2S)-2-(4,4-diethyl-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) | 1.67 | 4.39 | -47.41 | 3 | 3 | 1 | 44 | 262.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 4.2 | -3.35 | 2 | 3 | 0 | 42 | 261.413 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 5.96 | -38.42 | 3 | 3 | 1 | 43 | 262.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 6.31 | -128.5 | 4 | 3 | 2 | 45 | 263.429 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
