In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 21 | Yes |
Popular Name: (1S,2S,4R)-2-[1-ethylpropyl(methyl)amino]-4-phenyl-cyclohexanecarbonitrile (1S,2S,4R)-2-[1-ethylpropyl(meth…
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) | 4.97 | 11.6 | -43.96 | 1 | 2 | 1 | 28 | 285.455 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.97 | 10.71 | -5.3 | 0 | 2 | 0 | 27 | 284.447 | 5 | ↓ |