| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 21 | Yes |
Popular Name: (1S,2S)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]cyclohexan-1-ol (1S,2S)-2-[4-(2,5-dimethylphenyl…
| 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) | 3.51 | 5.23 | -4.81 | 1 | 3 | 0 | 27 | 288.435 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 7.55 | -32.77 | 2 | 3 | 1 | 28 | 289.443 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VACHT-1-E | Vesicular Acetylcholine Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VACHT_HUMAN | Q16572 | Vesicular Acetylcholine Transporter, Human | 100 | 0.47 | Binding ≤ 1μM |
| VACHT_HUMAN | Q16572 | Vesicular Acetylcholine Transporter, Human | 100 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine Neurotransmitter Release Cycle |
