| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2012 | 26 | Yes |
Popular Name: Baricitinib Baricitinib
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1187594-09-7 , [1187594-09-7] , [1187595-84-1]
1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile
1187594-09-7; Baricitinib (USAN/INN); D10308
3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-
| 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) | -0.24 | 4.92 | -35.29 | 1 | 9 | 0 | 121 | 371.426 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | JAK | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.