| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2005 | 24 | Yes |
Popular Name: 5-methyl-3,5-diphenyl-2,6-diazabicyclo[5.4.0]undeca-2,8,10,12-tetraene 5-methyl-3,5-diphenyl-2,6-diazab…
| 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) | 5.51 | 10.95 | -7.5 | 1 | 2 | 0 | 24 | 312.416 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.51 | 11.33 | -25.99 | 2 | 2 | 1 | 26 | 313.424 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 256 | MolMall (formerly Molecular Diversity Preservation International) |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80772-1-O | BV-2 (Microglial Cells) (cluster #1 Of 1), Other | Other | 9400 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80772 | Z80772 | BV-2 (Microglial Cells) | 9400 | 0.29 | Functional ≤ 10μM |
