| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 28 | Yes |
Popular Name: (2R,3R)-5-(3-fluoropropoxy)-3-(4-phenyl-1-piperidyl)tetralin-2-ol (2R,3R)-5-(3-fluoropropoxy)-3-(4…
| 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) | 4.53 | 11.16 | -36.97 | 2 | 3 | 1 | 34 | 384.515 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VACHT-1-E | Vesicular Acetylcholine Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VACHT_HUMAN | Q16572 | Vesicular Acetylcholine Transporter, Human | 0.77 | 0.46 | Binding ≤ 1μM |
| VACHT_HUMAN | Q16572 | Vesicular Acetylcholine Transporter, Human | 0.77 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine Neurotransmitter Release Cycle |
