| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 29 | Yes |
Popular Name: (2R)-2-isopropyl-5-(4-phenethylpiperazin-1-yl)-2-phenyl-pentanenitrile (2R)-2-isopropyl-5-(4-phenethylp…
| 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) | 5.15 | 13.56 | -44.34 | 1 | 3 | 1 | 31 | 390.595 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 11.12 | -7.62 | 0 | 3 | 0 | 30 | 389.587 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1D-2-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7700 | 0.25 | Binding ≤ 10μM |
| CAC1E-1-E | Voltage-gated R-type Calcium Channel Alpha-1E Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7700 | 0.25 | Binding ≤ 10μM |
| CAC1S-1-E | Voltage-gated L-type Calcium Channel Alpha-1S Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7700 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 7700 | 0.25 | Binding ≤ 10μM |
| CAC1S_RAT | Q02485 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Rat | 7700 | 0.25 | Binding ≤ 10μM |
| CAC1E_RAT | Q07652 | Voltage-gated R-type Calcium Channel Alpha-1E Subunit, Rat | 7700 | 0.25 | Binding ≤ 10μM |
