| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 20 | Yes |
Popular Name: 4-fluoro-3-[[[(2S)-2-(1-piperidyl)propyl]amino]methyl]benzonitrile 4-fluoro-3-[[[(2S)-2-(1-piperidy…
| 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) | 2.61 | 8.04 | -34.21 | 2 | 3 | 1 | 40 | 276.379 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 6.25 | -4.25 | 1 | 3 | 0 | 39 | 275.371 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 7.55 | -44.69 | 2 | 3 | 1 | 44 | 276.379 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
