In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | No |
Popular Name: (E)-4-[methyl-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]amino]-4-oxo-but-2-enoic (E)-4-[methyl-[2-[methyl-(1-meth…
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) | -0.12 | 5.64 | -70.39 | 1 | 6 | 0 | 68 | 283.372 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.12 | 8.11 | -118.26 | 2 | 6 | 1 | 69 | 284.38 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.12 | 5.71 | -67.01 | 1 | 6 | 0 | 68 | 283.372 | 6 | ↓ |