| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 30 | Yes |
Popular Name: (1S)-N-acridin-9-yl-N',N'-diethyl-1-phenyl-butane-1,4-diamine (1S)-N-acridin-9-yl-N',N'-diethy…
| 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) | 6.46 | 14.71 | -85.62 | 3 | 3 | 2 | 31 | 399.582 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.46 | 14.33 | -53.54 | 2 | 3 | 1 | 29 | 398.574 | 9 | ↓ |
| 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 | 1100 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1_HUMAN | P54289 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human | 1100 | 0.28 | Binding ≤ 10μM |
