| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2012 | 32 | 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) | 2.68 | 11.55 | -57.69 | 3 | 9 | 1 | 96 | 435.556 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 10.26 | -15.84 | 2 | 9 | 0 | 91 | 434.548 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 11.46 | -103.62 | 4 | 9 | 2 | 97 | 436.564 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | CDK | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.