In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 18 | Yes |
Popular Name: (2S,4S)-4-methyl-2-[[methyl-(1-methyl-4-piperidyl)amino]methyl]cyclohexanone (2S,4S)-4-methyl-2-[[methyl-(1-m…
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) | 1.72 | 6.85 | -38.56 | 1 | 3 | 1 | 25 | 253.41 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 8.95 | -104.42 | 2 | 3 | 2 | 26 | 254.418 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 6.57 | -37.35 | 1 | 3 | 1 | 25 | 253.41 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.