| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 22 | Yes |
Popular Name: 4-[(3,5-dimethylisothiazol-4-yl)amino]-2-methylsulfanyl-quinoline-3-carbonitrile 4-[(3,5-dimethylisothiazol-4-yl)…
| 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) | 4.29 | 7.38 | -9.94 | 1 | 4 | 0 | 62 | 326.45 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.29 | 7.77 | -35.54 | 2 | 4 | 1 | 63 | 327.458 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
