| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 20 | Yes |
Popular Name: DNC014738 DNC014738
| 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) | 5.23 | 10.21 | -9.56 | 0 | 2 | 0 | 30 | 264.324 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301-4-O | GABA-A Receptor; Anion Channel (cluster #4 Of 8), Other | Other | 720 | 0.43 | Binding ≤ 10μM |
| Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 6400 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 720 | 0.43 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 720 | 0.43 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 6400 | 0.36 | Functional ≤ 10μM |
