| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2009 | 32 | Yes |
Popular Name: DNC011041 DNC011041
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) | 6.41 | 16.72 | -98.93 | 2 | 4 | 2 | 15 | 477.524 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.41 | 12.3 | -5.19 | 0 | 4 | 0 | 13 | 475.508 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.41 | 14.5 | -43.72 | 1 | 4 | 1 | 14 | 476.516 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 16 | 0.34 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 98 | 0.31 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 300 | 0.29 | Binding ≤ 10μM |
| DRD2-14-E | Dopamine D2 Receptor (cluster #14 Of 24), Eukaryotic | Eukaryotes | 11 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 11 | 0.35 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 300 | 0.29 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 16 | 0.34 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 98 | 0.31 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 11 | 0.35 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 300 | 0.29 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 16 | 0.34 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 98 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Serotonin receptors | |
| Voltage gated Potassium channels |
