In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2009 | 22 | Yes |
Popular Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-pyridyl)methanone [4-[(3-chlorophenyl)methyl]piper…
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) | 2.15 | 7.18 | -9.48 | 0 | 4 | 0 | 36 | 315.804 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 9.44 | -44.63 | 1 | 4 | 1 | 38 | 316.812 | 3 | ↓ |