| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 20 | Yes |
Popular Name: N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-piperidyl]methyl]-2-methoxy-ethanamine N-[[(3S)-1-[(1-ethylpyrazol-4-yl…
| 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 | 4.5 | -42.57 | 2 | 5 | 1 | 47 | 281.424 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 5.44 | -39.88 | 2 | 5 | 1 | 44 | 281.424 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 6.73 | -105.29 | 3 | 5 | 2 | 48 | 282.432 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
