| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 22 | Yes |
Popular Name: 4-(4-chloro-2-methoxy-phenoxy)-3-(methylaminomethyl)benzamide 4-(4-chloro-2-methoxy-phenoxy)-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) | 2.46 | 4.38 | -41.52 | 4 | 5 | 1 | 78 | 321.784 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 2.86 | -13.01 | 3 | 5 | 0 | 74 | 320.776 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A2-2-E | Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic | Eukaryotes | 62 | 0.46 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 12 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 62 | 0.46 | Binding ≤ 1μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 12 | 0.50 | Binding ≤ 1μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 62 | 0.46 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 12 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Na+/Cl- dependent neurotransmitter transporters |
