| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | Yes |
Popular Name: 1-(3,4-dichlorophenyl)-3-(4-ethylanilino)-1-propanone 1-(3,4-dichlorophenyl)-3-(4-ethy…
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CAS Number: 423731-06-0
| 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) | 5.41 | 0.12 | -9.41 | 1 | 2 | 0 | 29 | 322.235 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 96 - 97 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-5-O | Trypanosoma Brucei (cluster #5 Of 6), Other | Other | 1650 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418 | Z50418 | Trypanosoma Brucei | 1650 | 0.39 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.