| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 18 | Yes |
Popular Name: 2-[(2R)-1-(3-imidazol-1-ylpropyl)-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(3-imidazol-1-ylpropyl…
| 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) | 1.25 | 9.51 | -175.59 | 4 | 4 | 3 | 40 | 253.414 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 6.87 | -47.97 | 2 | 4 | 1 | 38 | 251.398 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 7.38 | -86.18 | 3 | 4 | 2 | 39 | 252.406 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 9 | -114.98 | 3 | 4 | 2 | 39 | 252.406 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
