| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 21 | Yes |
Popular Name: 4-[[(1S)-2-(diethylamino)-1-methyl-ethyl]amino]quinoline-3-carbonitrile 4-[[(1S)-2-(diethylamino)-1-meth…
| 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) | 3.55 | 8.32 | -35.58 | 2 | 4 | 1 | 53 | 283.399 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 6.03 | -5.79 | 1 | 4 | 0 | 52 | 282.391 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.55 | 8.73 | -88.8 | 3 | 4 | 2 | 54 | 284.407 | 6 | ↓ |
