| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 25 | Yes |
Popular Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-quinoline-3-carbonitrile 4-(1,3-benzodioxol-5-ylmethylami…
| 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) | 3.94 | 7.35 | -10.42 | 1 | 5 | 0 | 67 | 349.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
