| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 27 | Yes |
Popular Name: -TRANS-2-HYDROXY-3- -5- -TETRALIN -TRANS-2-HYDROXY-3- -5- -TETRALIN
Find On: PubMed — Wikipedia — Google
CAS Number: 153215-70-4
| 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) | 4.26 | 10.36 | -36.4 | 2 | 3 | 1 | 34 | 370.488 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 209 | 0.35 | Binding ≤ 10μM |
| VACHT-1-E | Vesicular Acetylcholine Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 209 | 0.35 | Binding ≤ 1μM |
| VACHT_RAT | Q62666 | Vesicular Acetylcholine Transporter, Rat | 19.6 | 0.40 | Binding ≤ 1μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 209 | 0.35 | Binding ≤ 10μM |
| VACHT_RAT | Q62666 | Vesicular Acetylcholine Transporter, Rat | 19.6 | 0.40 | Binding ≤ 10μM |
