| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 29 | Yes |
Popular Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide 4-[4-[(2-chloro-6-fluoro-phenyl)…
| 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) | 5.01 | 10.61 | -42.53 | 2 | 4 | 1 | 37 | 459.8 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.01 | 10.68 | -36.45 | 2 | 4 | 1 | 37 | 459.8 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.01 | 8.3 | -9.77 | 1 | 4 | 0 | 36 | 458.792 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1G-1-E | Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1G_HUMAN | O43497 | Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human | 2400 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| NCAM1 interactions |
