| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 2-(ethylamino)-2-methyl-1-[4-(3-thienylmethyl)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) | 1.51 | 4.45 | -36.57 | 2 | 4 | 1 | 40 | 296.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 4.52 | -6.4 | 1 | 4 | 0 | 36 | 295.452 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.51 | 6.67 | -96.19 | 3 | 4 | 2 | 41 | 297.468 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
