| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 24 | Yes |
Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(5-isoquinolyl)urea 1-[1-(2-dimethylaminoethyl)pyraz…
| 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) | 1.61 | 6.3 | -50.12 | 3 | 7 | 1 | 76 | 325.396 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 3.82 | -14.43 | 2 | 7 | 0 | 75 | 324.388 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 6.76 | -88.48 | 4 | 7 | 2 | 78 | 326.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
