| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 20 | Yes |
Popular Name: N-[[(3S)-1-(3-imidazol-1-ylpropyl)-3-piperidyl]methyl]-2-methoxy-ethanamine N-[[(3S)-1-(3-imidazol-1-ylpropy…
| 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) | 0.49 | 9.05 | -168.33 | 4 | 5 | 3 | 49 | 283.44 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 7.18 | -45.86 | 2 | 5 | 1 | 44 | 281.424 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 8.53 | -111.75 | 3 | 5 | 2 | 48 | 282.432 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 6.83 | -78.5 | 3 | 5 | 2 | 48 | 282.432 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 6.31 | -44.2 | 2 | 5 | 1 | 47 | 281.424 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 7.7 | -92.98 | 3 | 5 | 2 | 45 | 282.432 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
