| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: N-[[2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]-4-pyridyl]methyl]ethanamine N-[[2-[(3S)-3-(1-piperidyl)pyrro…
| 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) | 2.08 | 9.21 | -95.14 | 3 | 4 | 2 | 37 | 290.455 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 5.66 | -4.18 | 1 | 4 | 0 | 31 | 288.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 7.02 | -42.54 | 2 | 4 | 1 | 36 | 289.447 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 6.1 | -26.98 | 2 | 4 | 1 | 33 | 289.447 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
