| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | Yes |
Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethylsulfonyl-piperidin-4-amine N-[(3,5-dimethyl-1H-pyrazol-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) | 0.42 | 2.53 | -53.53 | 3 | 6 | 1 | 83 | 301.436 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 1.33 | -13.91 | 2 | 6 | 0 | 78 | 300.428 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
