| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2005 | 23 | No |
Popular Name: N-(2-nitro-5-piperazin-1-ylphenyl)-N-(pyridin-3-ylmethyl)amine N-(2-nitro-5-piperazin-1-ylpheny…
| 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) | 1.24 | 6.24 | -59.12 | 3 | 7 | 1 | 91 | 314.369 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 4.95 | -10.33 | 2 | 7 | 0 | 86 | 313.361 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 6.71 | -99.6 | 4 | 7 | 2 | 92 | 315.377 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R-1-E | Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1512 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 1512 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Serotonin receptors |
