In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 20 | Yes |
Popular Name: 4-[[2-(ethylamino)-2-oxo-ethyl]amino]quinoline-3-carboxylic 4-[[2-(ethylamino)-2-oxo-ethyl]a…
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) | 1.57 | 5.66 | -54.19 | 3 | 6 | 0 | 95 | 273.292 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 5.24 | -67.71 | 2 | 6 | -1 | 94 | 272.284 | 5 | ↓ |