| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 22 | Yes |
Popular Name: 4-[3-methyl-N-(4-pyridylmethyl)anilino]-4-oxo-butanoic 4-[3-methyl-N-(4-pyridylmethyl)a…
| 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) | 1.01 | 8.52 | -49.53 | 0 | 5 | -1 | 73 | 297.334 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 7.4 | -10.63 | 1 | 5 | 0 | 71 | 298.342 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 8.95 | -65.63 | 1 | 5 | 0 | 75 | 298.342 | 6 | ↓ |
