| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | Yes |
Popular Name: 2-[4-(ethylaminomethyl)-3,5-dimethyl-pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone 2-[4-(ethylaminomethyl)-3,5-dime…
| 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) | -0.06 | 4.01 | -44.48 | 2 | 6 | 1 | 58 | 294.423 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 2.64 | -13.33 | 1 | 6 | 0 | 53 | 293.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 6.36 | -91.6 | 3 | 6 | 2 | 59 | 295.431 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
