In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 28 | Yes |
Popular Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-[2-(1-piperidyl)-3-pyridyl]methanone [4-(5-chloro-2-methyl-phenyl)pip…
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) | 3.61 | 12.55 | -9.07 | 0 | 5 | 0 | 40 | 398.938 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 13.01 | -38 | 1 | 5 | 1 | 41 | 399.946 | 3 | ↓ |