| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | Yes |
Popular Name: 3-[[3-(hydroxymethyl)-2-quinolyl]-isobutyl-amino]propanenitrile 3-[[3-(hydroxymethyl)-2-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) | 2.23 | 7.38 | -12.56 | 1 | 4 | 0 | 60 | 283.375 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 8.02 | -33.41 | 2 | 4 | 1 | 61 | 284.383 | 6 | ↓ |
