In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2009 | 35 | Yes |
Popular Name: 1-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]-1-(3-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]urea 1-[1-[2-(2-pyridyl)ethyl]-4-pipe…
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) | 3.78 | 13.48 | -45.77 | 2 | 6 | 1 | 63 | 484.546 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.78 | 13.92 | -97.27 | 3 | 6 | 2 | 64 | 485.554 | 8 | ↓ |