| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2012 | 33 | Yes |
Popular Name: CB-1089 CB-1089
| 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) | 6.07 | 9.07 | -5.23 | 3 | 3 | 0 | 61 | 454.695 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.82e-03 g/l | DrugBank-experimental |
| PUBCHEM_PATENT_ID | WO2000061112A2; WO2000064450A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.