| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2010 | 25 | Yes |
Popular Name: N/A N/A
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1000669-72-6 , [1000669-72-6] , [1038395-65-1]
| 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) | 2.51 | 7.61 | -53.6 | 3 | 5 | 1 | 66 | 333.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 6.88 | -92.85 | 7 | 7 | 2 | 113 | 438.963 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 6.24 | -14.79 | 2 | 5 | 0 | 61 | 332.407 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Flt, Bcr-Abl, Aurora Kinase | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.