| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 15 | No |
Popular Name: 2-(2-dimethylaminoethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one 2-(2-dimethylaminoethyl)-5-(trif…
| 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) | 0.66 | 4.27 | -37.29 | 1 | 4 | 1 | 37 | 224.206 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 1.79 | -5.76 | 0 | 4 | 0 | 36 | 223.198 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
