| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 35 | Yes |
1-(diphenylmethyl)-4-(3,3-diphenylpropanoyl)piperazine
piperazine, 1-(diphenylmethyl)-4-(1-oxo-3,3-diphenylpropyl)-
| 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) | 6.19 | 16.53 | -9.31 | 0 | 3 | 0 | 24 | 460.621 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.19 | 18.34 | -45.26 | 1 | 3 | 1 | 25 | 461.629 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1-1-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 110 | 0.28 | Binding ≤ 10μM |
| CAC1B-2-E | Voltage-gated N-type Calcium Channel Alpha-1B Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 110 | 0.28 | Binding ≤ 10μM |
| CACB1-1-E | Voltage-dependent L-type Calcium Channel Subunit Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CACB1_RAT | P54283 | Voltage-dependent L-type Calcium Channel Subunit Beta-1, Rat | 110 | 0.28 | Binding ≤ 1μM |
| CA2D1_RAT | P54290 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Rat | 110 | 0.28 | Binding ≤ 1μM |
| CAC1B_RAT | Q02294 | Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat | 110 | 0.28 | Binding ≤ 1μM |
| CACB1_RAT | P54283 | Voltage-dependent L-type Calcium Channel Subunit Beta-1, Rat | 110 | 0.28 | Binding ≤ 10μM |
| CA2D1_RAT | P54290 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Rat | 110 | 0.28 | Binding ≤ 10μM |
| CAC1B_RAT | Q02294 | Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat | 110 | 0.28 | Binding ≤ 10μM |
