| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 27 | Yes |
Popular Name: (4S)-N4-acridin-9-yl-N1,N1-diethyl-heptane-1,4-diamine (4S)-N4-acridin-9-yl-N1,N1-dieth…
None
| 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) | 6.97 | 12.7 | -81.18 | 3 | 3 | 2 | 31 | 365.565 | 10 | ↓ |
| Hi High (pH 8-9.5) | 6.97 | 12.32 | -51.01 | 2 | 3 | 1 | 29 | 364.557 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1-2-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 9 | 0.42 | Binding ≤ 10μM |
| CA2D1-2-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 18 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1_HUMAN | P54289 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human | 9 | 0.42 | Binding ≤ 1μM |
| CA2D1_HUMAN | P54289 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human | 9 | 0.42 | Binding ≤ 10μM |
