| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: [(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)-3-piperidyl]methanamine [(2R,3S)-1-ethyl-2-(1-methylpyra…
| 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) | 0.26 | 2.21 | -46.23 | 3 | 4 | 1 | 49 | 223.344 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 4.34 | -102.11 | 4 | 4 | 2 | 50 | 224.352 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
