| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 16 | No |
Popular Name: (3S)-3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-one (3S)-3-methyl-1-[(2-methylpyrimi…
None
| 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) | 0.19 | 6.36 | -48.42 | 1 | 4 | 1 | 47 | 220.296 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 4.13 | -8.46 | 0 | 4 | 0 | 46 | 219.288 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
