In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 21 | Yes |
Popular Name: (2S,4S)-4-methyl-2-[[4-(1-piperidyl)-1-piperidyl]methyl]cyclohexanone (2S,4S)-4-methyl-2-[[4-(1-piperi…
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) | 2.63 | 8.93 | -33.53 | 1 | 3 | 1 | 25 | 293.475 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.63 | 11.04 | -104.36 | 2 | 3 | 2 | 26 | 294.483 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.63 | 8.85 | -39.93 | 1 | 3 | 1 | 25 | 293.475 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.