| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 16 | Yes |
Popular Name: ncs-382 ncs-382
Find On: PubMed — Wikipedia — Google
CAS Numbers: 131733-92-1 , [131733-92-1]
| 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) | 1.61 | 5.73 | -48.46 | 1 | 3 | -1 | 60 | 217.244 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 3.7 | -7.01 | 2 | 3 | 0 | 58 | 218.252 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | anticonvulsant, GHB receptor antagonist | SMDC MicroSource |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q6RY99-2-E | Gamma-hydroxybutyrate Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 800 | 0.53 | Binding ≤ 10μM |
| Q6RY99-2-E | Gamma-hydroxybutyrate Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 900 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q6RY99_RAT | Q6RY99 | Gamma-hydroxybutyrate Receptor, Rat | 500 | 0.55 | Binding ≤ 1μM |
| Q6RY99_RAT | Q6RY99 | Gamma-hydroxybutyrate Receptor, Rat | 500 | 0.55 | Binding ≤ 10μM |
