| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: 1-[4-[(1S)-1-methylpropyl]piperazine-1-carbonyl]cyclohexanecarbonitrile 1-[4-[(1S)-1-methylpropyl]pipera…
| 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) | 2.54 | 5.91 | -6.29 | 0 | 4 | 0 | 47 | 277.412 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 7.83 | -39.61 | 1 | 4 | 1 | 49 | 278.42 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
