| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 27 | Yes |
Popular Name: 3-isopropyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide 3-isopropyl-2-oxo-N-[2-(4-propyl…
| 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) | 2.40 | 8.88 | -40.21 | 2 | 7 | 1 | 64 | 374.509 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 6.57 | -10.3 | 1 | 7 | 0 | 63 | 373.501 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 8.89 | -39.45 | 2 | 7 | 1 | 64 | 374.509 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 87 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT4R_HUMAN | Q13639 | Serotonin 4 (5-HT4) Receptor, Human | 87.3 | 0.37 | Binding ≤ 1μM |
| 5HT4R_HUMAN | Q13639 | Serotonin 4 (5-HT4) Receptor, Human | 87.3 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Serotonin receptors |
