In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 11 | Yes |
Popular Name: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile 1H-Pyrrolo[2,3-b]pyridine-3-carb…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4414-89-5 , [4414-89-5]
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) | 0.94 | 4.25 | -9.82 | 1 | 3 | 0 | 52 | 143.149 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 4.51 | -40.58 | 2 | 3 | 1 | 54 | 144.157 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.