| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 36 | No |
Popular Name: Barnidipine Hydrochloride Barnidipine Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104713-75-9 , 104757-53-1 , 104831-94-9 , 71863-55-3
| 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) | 5.12 | 15.73 | -52.82 | 2 | 9 | 1 | 115 | 492.552 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.12 | 13.27 | -17.85 | 1 | 9 | 0 | 114 | 491.544 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 12.23 | -39.44 | 0 | 9 | -1 | 120 | 490.536 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | antihypertensive | KeyOrganics Bioactives |
| 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 | 0.33 | Binding ≤ 10μM |
| CAC1D-1-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 0.205 | 0.38 | Binding ≤ 1μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 0.205 | 0.38 | Binding ≤ 1μM |
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 0.205 | 0.38 | Binding ≤ 10μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 0.205 | 0.38 | Binding ≤ 10μM |
