| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 28 | Yes |
Popular Name: N-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propyl]-N-butyl-butan-1-amine N-[3-[4-(1H-benzimidazol-2-yl)ph…
| 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) | 6.78 | 13.67 | -49.65 | 2 | 4 | 1 | 42 | 380.556 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATP4A-1-E | Potassium-transporting ATPase Alpha Chain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1800 | 0.29 | Functional ≤ 10μM |
| ATP4B-1-E | Potassium-transporting ATPase Beta Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1800 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATP4A_HUMAN | P20648 | Potassium-transporting ATPase Alpha Chain 1, Human | 1200 | 0.30 | Functional ≤ 10μM |
| ATP4B_HUMAN | P51164 | Potassium-transporting ATPase Beta Chain, Human | 1200 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Ion transport by P-type ATPases |
