In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 17 | Yes |
Popular Name: (Z)-2,3-dimethyl-4-oxo-4-(4-pyridylmethylamino)but-2-enoic (Z)-2,3-dimethyl-4-oxo-4-(4-pyri…
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) | 0.39 | 3.53 | -53.67 | 1 | 5 | -1 | 82 | 233.247 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.39 | 3.97 | -69.83 | 2 | 5 | 0 | 83 | 234.255 | 4 | ↓ |