In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 27 | Yes |
Popular Name: N-ethyl-2-[4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(o-tolyl)acetamide N-ethyl-2-[4-[2-(isobutylamino)-…
None
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) | 2.79 | 8.5 | -45.87 | 2 | 6 | 1 | 57 | 375.537 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 8.51 | -46.33 | 2 | 6 | 1 | 57 | 375.537 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 6.28 | -17.32 | 1 | 6 | 0 | 56 | 374.529 | 8 | ↓ |