In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 34 | Yes |
Popular Name: 1-(2-benzylprop-2-enyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine 1-(2-benzylprop-2-enyl)-4-[2-[bi…
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) | 6.11 | 15.87 | -42.17 | 1 | 3 | 1 | 17 | 463.592 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.11 | 13.55 | -6.6 | 0 | 3 | 0 | 16 | 462.584 | 10 | ↓ |
Mid Mid (pH 6-8) | 6.11 | 15.96 | -44.59 | 1 | 3 | 1 | 17 | 463.592 | 10 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 100 | 0.29 | Binding ≤ 10μM |
SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 430 | 0.26 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 100 | 0.29 | Binding ≤ 1μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 430 | 0.26 | Binding ≤ 1μM |
SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 100 | 0.29 | Binding ≤ 10μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 430 | 0.26 | Binding ≤ 10μM |
Description | Species |
---|---|
Dopamine clearance from the synaptic cleft | |
Na+/Cl- dependent neurotransmitter transporters |
No pre-computed analogs available. Try a structural similarity search.