| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 21 | Yes |
Popular Name: N-[[(2S)-1-[(1-isopropylpyrazol-3-yl)methyl]-2-piperidyl]methyl]-2-methoxy-ethanamine N-[[(2S)-1-[(1-isopropylpyrazol-…
| 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) | 1.48 | 5.54 | -34.74 | 2 | 5 | 1 | 47 | 295.451 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 3.85 | -7.58 | 1 | 5 | 0 | 42 | 294.443 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 7.49 | -105.31 | 3 | 5 | 2 | 48 | 296.459 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 6.14 | -29.4 | 2 | 5 | 1 | 44 | 295.451 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
