| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 17 | Yes |
Popular Name: 1-(4-Phenoxyphenyl)guanidine nitrate 1-(4-Phenoxyphenyl)guanidine nit…
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CAS Number: 105901-53-9
| 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) | 2.63 | 6.42 | -37.34 | 5 | 4 | 1 | 73 | 228.275 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-7-O | Plasmodium Falciparum (cluster #7 Of 22), Other | Other | 7900 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 7900 | 0.42 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.