In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2005 | 17 | No |
Popular Name: 5-(N,N-DIMETHYL)-AMILORIDE HYDROCHLORIDE 5-(N,N-DIMETHYL)-AMILORIDE HYDRO…
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CAS Number: 1214-79-5
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) | -0.76 | -0.61 | -10.03 | 6 | 8 | 0 | 137 | 257.685 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.76 | -0.22 | -39.64 | 5 | 8 | -1 | 134 | 256.677 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Therapy | inhibitor of Na+/H+ antiport | SMDC MicroSource |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.41 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.41 | Functional ≤ 10μM |