| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 19 | No |
Popular Name: 2-chloroethyl 2-chloroethyl
| 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) | 3.27 | 7.19 | -13.2 | 1 | 4 | 0 | 55 | 274.707 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.27 | 7.63 | -38.16 | 2 | 4 | 1 | 56 | 275.715 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1-6-E | GABA Receptor Alpha-1 Subunit (cluster #6 Of 8), Eukaryotic | Eukaryotes | 22 | 0.56 | Binding ≤ 10μM |
| GBRA2-5-E | GABA Receptor Alpha-2 Subunit (cluster #5 Of 8), Eukaryotic | Eukaryotes | 22 | 0.56 | Binding ≤ 10μM |
| GBRA3-7-E | GABA Receptor Alpha-3 Subunit (cluster #7 Of 8), Eukaryotic | Eukaryotes | 22 | 0.56 | Binding ≤ 10μM |
| GBRA4-1-E | GABA Receptor Alpha-4 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 22 | 0.56 | Binding ≤ 10μM |
| GBRB1-1-E | GABA Receptor Beta-1 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 22 | 0.56 | Binding ≤ 10μM |
| GBRG2-2-E | GABA Receptor Gamma-2 Subunit (cluster #2 Of 7), Eukaryotic | Eukaryotes | 22 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_BOVIN | P08219 | GABA Receptor Alpha-1 Subunit, Bovin | 22 | 0.56 | Binding ≤ 1μM |
| GBRA2_BOVIN | P10063 | GABA Receptor Alpha-2 Subunit, Bovin | 22 | 0.56 | Binding ≤ 1μM |
| GBRA3_BOVIN | P10064 | GABA Receptor Alpha-3 Subunit, Bovin | 22 | 0.56 | Binding ≤ 1μM |
| GBRA4_BOVIN | P20237 | GABA Receptor Alpha-4 Subunit, Bovin | 22 | 0.56 | Binding ≤ 1μM |
| GBRB1_BOVIN | P08220 | GABA Receptor Beta-1 Subunit, Bovin | 22 | 0.56 | Binding ≤ 1μM |
| GBRG2_BOVIN | P22300 | GABA Receptor Gamma-2 Subunit, Bovin | 22 | 0.56 | Binding ≤ 1μM |
| GBRA1_BOVIN | P08219 | GABA Receptor Alpha-1 Subunit, Bovin | 22 | 0.56 | Binding ≤ 10μM |
| GBRA2_BOVIN | P10063 | GABA Receptor Alpha-2 Subunit, Bovin | 22 | 0.56 | Binding ≤ 10μM |
| GBRA3_BOVIN | P10064 | GABA Receptor Alpha-3 Subunit, Bovin | 22 | 0.56 | Binding ≤ 10μM |
| GBRA4_BOVIN | P20237 | GABA Receptor Alpha-4 Subunit, Bovin | 22 | 0.56 | Binding ≤ 10μM |
| GBRB1_BOVIN | P08220 | GABA Receptor Beta-1 Subunit, Bovin | 22 | 0.56 | Binding ≤ 10μM |
| GBRG2_BOVIN | P22300 | GABA Receptor Gamma-2 Subunit, Bovin | 22 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| GABA A receptor activation | |
| Ligand-gated ion channel transport |
