| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 24 | Yes |
Popular Name: 1-(3-ethylphenyl)-1,3-dimethyl-3-(1-naphthyl)guanidine 1-(3-ethylphenyl)-1,3-dimethyl-3…
| 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) | 5.48 | 13.99 | -25.21 | 2 | 3 | 1 | 32 | 318.444 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-4-E | Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 1210 | 0.35 | Binding ≤ 10μM |
| Z104302-7-O | Glutamate NMDA Receptor (cluster #7 Of 7), Other | Other | 100 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 100 | 0.41 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 100 | 0.41 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 1210 | 0.35 | Binding ≤ 10μM |
