| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | Yes |
Popular Name: 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone 2-[3,5-dimethyl-4-(methylaminome…
| 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) | -0.44 | 3.1 | -44.81 | 2 | 6 | 1 | 58 | 280.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 1.65 | -13.57 | 1 | 6 | 0 | 53 | 279.388 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 5.45 | -94.43 | 3 | 6 | 2 | 59 | 281.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
