| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2015 | 29 | Yes |
| 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) | 4.37 | 11.38 | -50.08 | 1 | 5 | -1 | 67 | 444.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 12.1 | -31.62 | 2 | 5 | 0 | 65 | 445.375 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Bcr-Abl | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.