| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2008 | 20 | Yes |
Popular Name: 3-[(3-butyl-2-methyl-4-quinolyl)sulfanyl]propanenitrile 3-[(3-butyl-2-methyl-4-quinolyl)…
| 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) | 4.30 | 10.69 | -11.04 | 0 | 2 | 0 | 37 | 284.428 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 11.07 | -32.91 | 1 | 2 | 1 | 38 | 285.436 | 6 | ↓ |
