| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | Yes |
Popular Name: 6-(4-tert-butylphenyl)-2-oxo-1H-pyridine-3-carbonitrile 6-(4-tert-butylphenyl)-2-oxo-1H-…
| 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) | 3.67 | 7.68 | -15.56 | 1 | 3 | 0 | 57 | 252.317 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 5.87 | -48.08 | 0 | 3 | -1 | 60 | 251.309 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
