In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 21 | Yes |
Popular Name: N-methyl-N-[2-(4-pyridyl)ethyl]-1,3-benzodioxole-5-carboxamide N-methyl-N-[2-(4-pyridyl)ethyl]-…
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) | 1.31 | 6.05 | -14.07 | 0 | 5 | 0 | 52 | 284.315 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.31 | 6.51 | -42.08 | 1 | 5 | 1 | 53 | 285.323 | 4 | ↓ |