| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2010 | 14 | No |
Popular Name: 6-mercapto-4,4-dimethyl-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile 6-mercapto-4,4-dimethyl-2-oxo-1,…
Find On: PubMed — Wikipedia — Google
CAS Number: 201733-68-8
| 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) | 0.44 | 1.19 | -13.56 | 0 | 4 | 0 | 83 | 206.25 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.25 | 2.96 | -11.69 | 1 | 4 | 0 | 77 | 207.258 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
