| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 30 | Yes |
Popular Name: 7-[4-[[3-(m-tolyl)phenyl]methyl]piperazin-1-yl]-1,3-benzoxazol-2-ol 7-[4-[[3-(m-tolyl)phenyl]methyl]…
None
| 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) | 4.72 | 10.08 | -56.5 | 2 | 5 | 1 | 54 | 400.502 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.17 | 7.38 | -53.41 | 0 | 5 | -1 | 56 | 398.486 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.72 | 7.76 | -17.95 | 1 | 5 | 0 | 52 | 399.494 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-4-E | Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 35 | 0.35 | Binding ≤ 10μM |
| DRD2-9-E | Dopamine D2 Receptor (cluster #9 Of 24), Eukaryotic | Eukaryotes | 9 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 9.3 | 0.37 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 35 | 0.35 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 9.3 | 0.37 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 35 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| Serotonin receptors |
