| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 24 | Yes |
Popular Name: 4-[[4-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]piperazin-1-yl]methyl]benzonitrile 4-[[4-[(1S)-1-methyl-2-oxo-2-pyr…
| 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) | 1.47 | 7.99 | -48.56 | 1 | 5 | 1 | 52 | 327.452 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 5.76 | -10.91 | 0 | 5 | 0 | 51 | 326.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
