| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 29 | Yes |
Popular Name: methyl methyl
| 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) | 2.81 | 8.64 | -52.33 | 2 | 7 | 0 | 97 | 422.909 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.66 | -16.51 | 2 | 7 | 0 | 86 | 422.909 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 7.21 | -36.92 | 1 | 7 | -1 | 92 | 421.901 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.41 | Functional ≤ 10μM |
| CAC1D-1-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.41 | Functional ≤ 10μM |
| CAC1E-1-E | Voltage-gated R-type Calcium Channel Alpha-1E Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.41 | Functional ≤ 10μM |
| CAC1S-1-E | Voltage-gated L-type Calcium Channel Alpha-1S Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 3.16227766 | 0.41 | Functional ≤ 10μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 3.16227766 | 0.41 | Functional ≤ 10μM |
| CAC1S_RAT | Q02485 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Rat | 3.16227766 | 0.41 | Functional ≤ 10μM |
| CAC1E_RAT | Q07652 | Voltage-gated R-type Calcium Channel Alpha-1E Subunit, Rat | 3.16227766 | 0.41 | Functional ≤ 10μM |
