| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 25 | Yes |
Popular Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-methylsulfanyl-quinoline-3-carbonitrile 4-[(1-ethyl-3,5-dimethyl-pyrazol…
| 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) | 3.25 | 8.26 | -10.49 | 1 | 5 | 0 | 67 | 351.479 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 8.39 | -35.43 | 2 | 5 | 1 | 68 | 352.487 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
