In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 20 | Yes |
Popular Name: 1-[(1S,2S)-2-methylcyclohexyl]-4-(4-pyridylmethyl)piperazine 1-[(1S,2S)-2-methylcyclohexyl]-4…
None
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) | 2.49 | 7.72 | -36.25 | 1 | 3 | 1 | 21 | 274.432 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 5.88 | -3.16 | 0 | 3 | 0 | 19 | 273.424 | 3 | ↓ |