| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2010 | 28 | Yes |
Popular Name: 1-[4-[(S)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-4-(ethylamino)butan-1-one 1-[4-[(S)-(4-chlorophenyl)-pheny…
| 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) | 3.76 | 11.09 | -44.02 | 2 | 4 | 1 | 40 | 400.974 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 12.88 | -98.82 | 3 | 4 | 2 | 41 | 401.982 | 8 | ↓ |
| 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 | 420 | 0.32 | 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 | 420 | 0.32 | Binding ≤ 1μM |
| CAC1G_HUMAN | O43497 | Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human | 420 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| NCAM1 interactions |
