| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2005 | 17 | Yes |
Popular Name: 4-piperazin-1-yl-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-2-one 4-piperazin-1-yl-1,5-diazabicycl…
| 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) | 0.57 | 5.51 | -52.25 | 2 | 5 | 1 | 54 | 231.279 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 4.2 | -13.67 | 1 | 5 | 0 | 50 | 230.271 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102352-2-O | Plasma (cluster #2 Of 3), Other | Other | 6000 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102352 | Z102352 | Plasma | 3600 | 0.45 | Functional ≤ 10μM |
