In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2009 | 27 | Yes |
Popular Name: 2-(4-pyridyl)-N-[2-(2-pyridyl)ethyl]quinoline-4-carboxamide 2-(4-pyridyl)-N-[2-(2-pyridyl)et…
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) | 2.60 | 7.87 | -15.98 | 1 | 5 | 0 | 68 | 354.413 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 6.45 | -45.41 | 2 | 5 | 1 | 73 | 355.421 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 8.24 | -49.62 | 2 | 5 | 1 | 69 | 355.421 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | 6.91 | -94.92 | 3 | 5 | 2 | 74 | 356.429 | 5 | ↓ |