| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 22 | Yes |
Popular Name: 4-[[6-(N-methylanilino)-3-pyridyl]amino]-4-oxo-butanoic 4-[[6-(N-methylanilino)-3-pyridy…
| 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) | 1.97 | 6.44 | -50.72 | 1 | 6 | -1 | 85 | 298.322 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 6.88 | -64.52 | 2 | 6 | 0 | 87 | 299.33 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 5.76 | -41.3 | 3 | 6 | 1 | 84 | 300.338 | 6 | ↓ |
