In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 29 | Yes |
Popular Name: 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-3-sec-butyl-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-5-(3-phenoxyp…
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) | 6.95 | 10.44 | -44.7 | 1 | 4 | -1 | 65 | 424.929 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 7), Other | Other | 2 | 0.42 | Binding ≤ 10μM |
Z81131-1-O | L Cells (Fibroblasts) (cluster #1 Of 1), Other | Other | 7900 | 0.25 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104302 | Z104302 | Glutamate NMDA Receptor | 2 | 0.42 | Binding ≤ 1μM |
Z104302 | Z104302 | Glutamate NMDA Receptor | 2 | 0.42 | Binding ≤ 10μM |
Z81131 | Z81131 | L Cells (Fibroblasts) | 7900 | 0.25 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.