In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (2S,4S)-4-ethyl-2-[[(1-ethyl-4-piperidyl)-methyl-amino]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[(1-ethyl-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) | 2.78 | 8.15 | -37.76 | 1 | 3 | 1 | 25 | 281.464 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 10.24 | -105.62 | 2 | 3 | 2 | 26 | 282.472 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 8.01 | -37.66 | 1 | 3 | 1 | 25 | 281.464 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.