In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (2S,4S)-2-[[methyl(3-pyridylmethyl)amino]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[methyl(3-pyridylmeth…
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) | 2.71 | 9.42 | -46.61 | 1 | 3 | 1 | 34 | 275.416 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.71 | 7.23 | -8.9 | 0 | 3 | 0 | 33 | 274.408 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.