| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: 2-(ethylamino)-2-methyl-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[4-(3-…
| 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) | 0.69 | 3.75 | -38.62 | 2 | 5 | 1 | 53 | 291.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 3.82 | -8.02 | 1 | 5 | 0 | 48 | 290.411 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 5.97 | -100.14 | 3 | 5 | 2 | 54 | 292.427 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
