In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 18 | Yes |
Popular Name: 1-[(1S,2S)-2-methoxy-2-phenyl-cyclohexyl]-N,N-dimethyl-methanamine 1-[(1S,2S)-2-methoxy-2-phenyl-cy…
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) | 3.76 | 8.59 | -40.21 | 1 | 2 | 1 | 14 | 248.39 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A2-2-E | Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1565 | 0.45 | Binding ≤ 10μM |
SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3880 | 0.42 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 1565 | 0.45 | Binding ≤ 10μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 3880 | 0.42 | Binding ≤ 10μM |
Description | Species |
---|---|
Na+/Cl- dependent neurotransmitter transporters |