| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 26th, 2011 | 20 | Yes |
Popular Name: 1-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]cyclopentanecarbonitrile 1-[4-(2-dimethylaminoethyl)piper…
| 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) | 0.85 | 5.51 | -41.42 | 1 | 5 | 1 | 52 | 279.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 3.02 | -7.36 | 0 | 5 | 0 | 51 | 278.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
