In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 25 | Yes |
Popular Name: 1-ethyl-4-[[5-(2-naphthyl)-3-pyridyl]methyl]piperazine 1-ethyl-4-[[5-(2-naphthyl)-3-pyr…
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) | 3.90 | 10.31 | -37.91 | 1 | 3 | 1 | 21 | 332.471 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 10.3 | -43.26 | 1 | 3 | 1 | 21 | 332.471 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 8.03 | -6.05 | 0 | 3 | 0 | 19 | 331.463 | 4 | ↓ |