| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2011 | 20 | Yes |
Popular Name: 4-[[(3S)-3-pyrrolidin-1-yl-1-piperidyl]methyl]benzonitrile 4-[[(3S)-3-pyrrolidin-1-yl-1-pip…
| 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) | 2.32 | 8.54 | -38.42 | 1 | 3 | 1 | 31 | 270.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 6.13 | -4.81 | 0 | 3 | 0 | 30 | 269.392 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 10.79 | -121.59 | 2 | 3 | 2 | 33 | 271.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
