| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: 4-[(1R)-1-[3-(1-piperidyl)propylamino]ethyl]benzonitrile 4-[(1R)-1-[3-(1-piperidyl)propyl…
| 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) | 3.02 | 9.16 | -39.8 | 2 | 3 | 1 | 40 | 272.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 6.88 | -5.38 | 1 | 3 | 0 | 39 | 271.408 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 10.42 | -122.27 | 3 | 3 | 2 | 45 | 273.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.14 | -52.01 | 2 | 3 | 1 | 44 | 272.416 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
