In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 35 | Yes |
Popular Name: 2-phenyl-N-[(1S)-1-phenylethyl]-3-[2-(3-pyridyl)ethyl]quinoline-4-carboxamide 2-phenyl-N-[(1S)-1-phenylethyl]-…
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) | 5.89 | 14.22 | -11.97 | 1 | 4 | 0 | 55 | 457.577 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.89 | 14.69 | -39.83 | 2 | 4 | 1 | 56 | 458.585 | 7 | ↓ |