In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 18 | Yes |
Popular Name: 4-[(2-amino-2-oxo-ethyl)amino]quinoline-3-carboxylic 4-[(2-amino-2-oxo-ethyl)amino]qu…
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) | 0.32 | 2.96 | -53.78 | 4 | 6 | 0 | 109 | 245.238 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.32 | 2.55 | -66.34 | 3 | 6 | -1 | 108 | 244.23 | 4 | ↓ |