| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 15 | Yes |
Popular Name: (5aR,9aR)-N-methyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzothiophen-9a-amine (5aR,9aR)-N-methyl-5,5a,6,9-tetr…
None
| 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) | 3.18 | 6.91 | -34.24 | 2 | 1 | 1 | 17 | 220.361 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5071853; US5180736; US5276053 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 7), Other | Other | 57 | 0.68 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 57 | 0.68 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 57 | 0.68 | Binding ≤ 10μM |
