| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: 1-(4-isobutylpiperazine-1-carbonyl)cycloheptanecarbonitrile 1-(4-isobutylpiperazine-1-carbon…
| 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) | 2.96 | 6.57 | -6.33 | 0 | 4 | 0 | 47 | 291.439 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 8.51 | -41.44 | 1 | 4 | 1 | 49 | 292.447 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
