| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 21 | No |
Popular Name: n,n-hexamethyleneamiloride n,n-hexamethyleneamiloride
Find On: PubMed — Wikipedia — Google
CAS Number: 1428-95-1
| 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) | 0.66 | 2.35 | -9.29 | 6 | 8 | 0 | 137 | 311.777 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 2.69 | -39.72 | 5 | 8 | -1 | 134 | 310.769 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | CCH_ARATH; CCS1_ASHGO; CCS1_CANGA; CCS1_DEBHA; CCS1_KLULA; CCS1_YARLI; CCS1_YEAST; CCS_ARATH; CCS_DICDI; CCS_HUMAN; CCS_MOUSE; CCS_ORYSJ; CCS_PIG; CCS_RAT; COPA1_HELPX; COPA2_HELPX; COPA3_HELPX; COPA_ARCFU; COPA_BACSU; COPA_ECO57; COPA_ECOLI; COPA_ENTHA | ChEBI |
| Therapy | Na/H+ antiporter inhibitor, diuretic | SMDC MicroSource |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3162 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 3162.27766 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.