| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 18 | No |
Popular Name: 3-(3,4-dihydroxyphenyl)-2-(2-pyridyl)prop-2-enenitrile 3-(3,4-dihydroxyphenyl)-2-(2-pyr…
| 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) | 1.65 | 2.85 | -10.36 | 2 | 4 | 0 | 77 | 238.246 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 3.07 | -47.99 | 3 | 4 | 1 | 78 | 239.254 | 2 | ↓ |
