| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: 2-(ethylamino)-2-methyl-1-[4-(2-pyridylmethyl)piperazin-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[4-(2-…
| 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) | 0.75 | 4.09 | -38.33 | 2 | 5 | 1 | 53 | 291.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 4.16 | -8.89 | 1 | 5 | 0 | 48 | 290.411 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.75 | 4.09 | -77.5 | 3 | 5 | 2 | 54 | 292.427 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
