| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 15 | Yes |
Popular Name: (5aS,9aS)-N-methyl-5,5a,6,7,8,9-hexahydro-4H-benzo[e]benzothiophen-9a-amine (5aS,9aS)-N-methyl-5,5a,6,7,8,9-…
| 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) | 3.67 | 7.12 | -34.97 | 2 | 1 | 1 | 17 | 222.377 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 7), Other | Other | 31 | 0.70 | Binding ≤ 10μM |
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 3), Other | Other | 350 | 0.60 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 31 | 0.70 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 31 | 0.70 | Binding ≤ 10μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 350 | 0.60 | Functional ≤ 10μM |
