| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 33 | No |
Popular Name: 2-[2-nitro-5-(4-methyl-1-piperazinyl)phenyl]-4-phenyl-1(2H)-phthalazinone 2-[2-nitro-5-(4-methyl-1-piperaz…
| 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) | 4.50 | 14.03 | -61.47 | 1 | 8 | 1 | 88 | 442.499 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 11.68 | -20.68 | 0 | 8 | 0 | 87 | 441.491 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R-2-E | Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1221 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 1221 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Serotonin receptors |
