In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 20 | Yes |
Popular Name: N,N-dimethyl-3-[4-(2-pyridylmethyl)piperazin-1-yl]propanamide N,N-dimethyl-3-[4-(2-pyridylmeth…
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) | -0.36 | 4.88 | -41.54 | 1 | 5 | 1 | 41 | 277.392 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.36 | 4.87 | -44.34 | 1 | 5 | 1 | 41 | 277.392 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.36 | 2.65 | -11.47 | 0 | 5 | 0 | 40 | 276.384 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.36 | 5.61 | -93.31 | 2 | 5 | 2 | 42 | 278.4 | 5 | ↓ |