| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 15 | Yes |
Popular Name: (3S)-3-[(2-methyl-1H-imidazol-4-yl)methylamino]piperidin-2-one (3S)-3-[(2-methyl-1H-imidazol-4-…
| 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) | -0.69 | 0.42 | -32.01 | 4 | 5 | 1 | 71 | 209.273 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | -0.04 | -16.42 | 3 | 5 | 0 | 70 | 208.265 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | 1.16 | -45.45 | 4 | 5 | 1 | 74 | 209.273 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | 1.64 | -101.91 | 5 | 5 | 2 | 76 | 210.281 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
