In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 25 | Yes |
Popular Name: N-(4-phenylbutyl)-2-piperazin-1-yl-pyridine-3-carboxamide N-(4-phenylbutyl)-2-piperazin-1-…
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) | 2.17 | 8.92 | -39.48 | 3 | 5 | 1 | 62 | 339.463 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 7.61 | -12.42 | 2 | 5 | 0 | 57 | 338.455 | 7 | ↓ |