| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 28 | No |
Popular Name: (5Z)-2-(4-benzylpiperazin-1-yl)-5-[(2,4-dihydroxyphenyl)methylene]thiazol-4-one (5Z)-2-(4-benzylpiperazin-1-yl)-…
| 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) | 2.99 | 3.11 | -22.79 | 2 | 6 | 0 | 77 | 395.484 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 3.9 | -53.53 | 1 | 6 | -1 | 80 | 394.476 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104297-1-O | Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other | Other | 1650 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 1650 | 0.29 | Functional ≤ 10μM |
