| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 20 | Yes |
Popular Name: 4-(2-dimethylaminoethylamino)-2-methylsulfanyl-quinoline-3-carbonitrile 4-(2-dimethylaminoethylamino)-2-…
| 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) | 2.68 | 6.99 | -42.06 | 2 | 4 | 1 | 53 | 287.412 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 4.49 | -8.96 | 1 | 4 | 0 | 52 | 286.404 | 5 | ↓ |
