| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 19 | Yes |
Popular Name: 1-[(1S)-3-(4-chlorophenoxy)-1-methyl-propyl]-4-methyl-piperidine 1-[(1S)-3-(4-chlorophenoxy)-1-me…
| 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) | 4.45 | 10.26 | -37.02 | 1 | 2 | 1 | 14 | 282.835 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP-1-E | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 37 | 0.55 | Binding ≤ 10μM |
| SGMR1-3-E | Sigma Opioid Receptor (cluster #3 Of 6), Eukaryotic | Eukaryotes | 3 | 0.63 | Binding ≤ 10μM |
| Z100491-1-O | Sigma 2 Receptor (cluster #1 Of 2), Other | Other | 32 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP_CAVPO | Q60490 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Guinea Pig | 37 | 0.55 | Binding ≤ 1μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 31.6 | 0.55 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 2.69 | 0.63 | Binding ≤ 1μM |
| EBP_CAVPO | Q60490 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Guinea Pig | 37 | 0.55 | Binding ≤ 10μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 31.6 | 0.55 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 2.69 | 0.63 | Binding ≤ 10μM |
