| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 25 | Yes |
Popular Name: 4-phenylbutylBLAH 4-phenylbutylBLAH
| 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) | 5.34 | 13.25 | -39.8 | 2 | 2 | 1 | 20 | 331.483 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 57 | 0.41 | Binding ≤ 10μM |
| 5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 57 | 0.41 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 57 | 0.41 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 25 | 0.43 | Binding ≤ 10μM |
| DRD2-20-E | Dopamine D2 Receptor (cluster #20 Of 24), Eukaryotic | Eukaryotes | 735 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 733 | 0.34 | Binding ≤ 1μM |
| 5HT2A_MOUSE | P35363 | Serotonin 2a (5-HT2a) Receptor, Mouse | 56.9 | 0.41 | Binding ≤ 1μM |
| 5HT2B_MOUSE | Q02152 | Serotonin 2b (5-HT2b) Receptor, Mouse | 56.9 | 0.41 | Binding ≤ 1μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 56.9 | 0.41 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 114 | 0.39 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 733 | 0.34 | Binding ≤ 10μM |
| 5HT2A_MOUSE | P35363 | Serotonin 2a (5-HT2a) Receptor, Mouse | 56.9 | 0.41 | Binding ≤ 10μM |
| 5HT2B_MOUSE | Q02152 | Serotonin 2b (5-HT2b) Receptor, Mouse | 56.9 | 0.41 | Binding ≤ 10μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 56.9 | 0.41 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 114 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Serotonin receptors |
