| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 25 | Yes |
Popular Name: N-[(1R)-1-methyl-4-pyrrolidin-1-yl-butyl]acridin-9-amine N-[(1R)-1-methyl-4-pyrrolidin-1-…
| 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) | 5.53 | 11.52 | -80.2 | 3 | 3 | 2 | 31 | 335.495 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.53 | 11.14 | -50.83 | 2 | 3 | 1 | 29 | 334.487 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1-3-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 9900 | 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 | 9900 | 0.28 | Binding ≤ 10μM |
