| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 2-(ethylamino)-2-methyl-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[4-[[(…
| 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) | 0.90 | 2.98 | -35.98 | 2 | 5 | 1 | 49 | 284.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 3.13 | -6.65 | 1 | 5 | 0 | 45 | 283.416 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 5.24 | -89.55 | 3 | 5 | 2 | 51 | 285.432 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
