In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2010 | 26 | Yes |
Popular Name: N-[3-[4-(2-pyridylmethyl)piperazine-1-carbonyl]phenyl]propanamide N-[3-[4-(2-pyridylmethyl)piperaz…
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) | 1.06 | 5.52 | -17.44 | 1 | 6 | 0 | 66 | 352.438 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.06 | 6.25 | -45.31 | 2 | 6 | 1 | 67 | 353.446 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.06 | 7.73 | -45.57 | 2 | 6 | 1 | 67 | 353.446 | 5 | ↓ |