In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 19 | Yes |
Popular Name: (2R,4R)-4-ethyl-2-[[methyl(4-pyridylmethyl)amino]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[methyl(4-pyr…
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) | 2.10 | 6.56 | -8.98 | 0 | 3 | 0 | 33 | 260.381 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 8.78 | -48.22 | 1 | 3 | 1 | 34 | 261.389 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.