| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 29th, 2008 | 17 | Yes |
Popular Name: 1-(p-Tolyl)-1,2,3,4-tetrahydroisoquinoline 1-(p-Tolyl)-1,2,3,4-tetrahydrois…
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CAS Number: 112891-31-3
| 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) | 3.72 | 0.25 | -39.65 | 2 | 1 | 1 | 17 | 224.327 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PCP-1-E | Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9500 | 0.41 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 5600 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PCP_HUMAN | P42785 | Lysosomal Pro-X Carboxypeptidase, Human | 9500 | 0.41 | Binding ≤ 10μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 5600 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Intrinsic Pathway |
