| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 21 | Yes |
Popular Name: [4-(2-aminoethyl)piperazin-1-yl]-(4-tert-butylcyclohexyl)methanone [4-(2-aminoethyl)piperazin-1-yl]…
| 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) | 1.75 | 4.21 | -48.68 | 3 | 4 | 1 | 51 | 296.479 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 3.82 | -6.51 | 2 | 4 | 0 | 50 | 295.471 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 6.41 | -127.56 | 4 | 4 | 2 | 52 | 297.487 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
