In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (2R,4R)-2-[[methyl-(1-methyl-4-piperidyl)amino]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[methyl-(1-methyl-4-p…
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) | 2.97 | 8.42 | -39.65 | 1 | 3 | 1 | 25 | 281.464 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.97 | 10.57 | -105.64 | 2 | 3 | 2 | 26 | 282.472 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.97 | 8.17 | -38.59 | 1 | 3 | 1 | 25 | 281.464 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.