| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 25 | No |
Popular Name: 4-[2-[3-(4-nitrophenyl)propyl-propyl-amino]ethyl]aniline 4-[2-[3-(4-nitrophenyl)propyl-pr…
| 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) | 4.38 | 12.47 | -51.77 | 3 | 5 | 1 | 76 | 342.463 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 6 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 6 | 0.46 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 6 | 0.46 | Binding ≤ 10μM |
