In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 20 | Yes |
Popular Name: 1-(4-methylcyclohexyl)-4-(3-pyridylmethyl)piperazine 1-(4-methylcyclohexyl)-4-(3-pyri…
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) | 2.07 | 7.37 | -38.59 | 1 | 3 | 1 | 21 | 274.432 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 5.1 | -3.52 | 0 | 3 | 0 | 19 | 273.424 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.07 | 7.81 | -84.67 | 2 | 3 | 2 | 22 | 275.44 | 3 | ↓ |