In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 20 | Yes |
Popular Name: N-isobutyl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine N-isobutyl-N-[(2-methoxyphenyl)m…
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) | 2.70 | 6.51 | -40.29 | 2 | 3 | 1 | 29 | 277.432 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 8.01 | -98.36 | 3 | 3 | 2 | 30 | 278.44 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A2-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 145 | 0.48 | Binding ≤ 10μM |
SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 15 | 0.55 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 145 | 0.48 | Binding ≤ 1μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 15 | 0.55 | Binding ≤ 1μM |
SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 145 | 0.48 | Binding ≤ 10μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 15 | 0.55 | Binding ≤ 10μM |
Description | Species |
---|---|
Na+/Cl- dependent neurotransmitter transporters |