| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 25 | Yes |
Popular Name: 4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-isobutyl-piperazine-1-carboxamide 4-[2-(2,3-dimethylanilino)-2-oxo…
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| 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) | 3.53 | 6.14 | -12.92 | 2 | 6 | 0 | 65 | 346.475 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 8.3 | -49.95 | 3 | 6 | 1 | 66 | 347.483 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
