| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 22 | Yes |
Popular Name: 4-[(3,5-dimethylisoxazol-4-yl)amino]-2-methylsulfanyl-quinoline-3-carbonitrile 4-[(3,5-dimethylisoxazol-4-yl)am…
| 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) | 3.64 | 6.97 | -11.43 | 1 | 5 | 0 | 75 | 310.382 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.64 | 7.36 | -37.69 | 2 | 5 | 1 | 76 | 311.39 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
