| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 22 | Yes |
Popular Name: 2-methylsulfanyl-4-(2-pyrrolidin-1-ylethylamino)quinoline-3-carbonitrile 2-methylsulfanyl-4-(2-pyrrolidin…
| 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) | 3.09 | 8.13 | -40.89 | 2 | 4 | 1 | 53 | 313.45 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 5.69 | -9.19 | 1 | 4 | 0 | 52 | 312.442 | 5 | ↓ |
