| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 19 | No |
Popular Name: (3R,4S)-4-methyl-2-oxo-4-phenyl-6-sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile (3R,4S)-4-methyl-2-oxo-4-phenyl-…
| 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) | 1.50 | 3.73 | -13.13 | 0 | 4 | 0 | 83 | 268.321 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 5.5 | -11.85 | 1 | 4 | 0 | 77 | 269.329 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
