| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 22 | Yes |
Popular Name: 2-methylsulfanyl-4-(4-pyridylmethylamino)quinoline-3-carbonitrile 2-methylsulfanyl-4-(4-pyridylmet…
| 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) | 2.76 | 6.92 | -9.09 | 1 | 4 | 0 | 62 | 306.394 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 7.38 | -42.9 | 2 | 4 | 1 | 63 | 307.402 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
