| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 26 | No |
Popular Name: 2-[(2,4-dichloro-5-methylphenyl)thio]-1,3-dinitro-5-(trifluoromethyl)benzene 2-[(2,4-dichloro-5-methylphenyl)…
| 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) | 6.23 | 4.56 | -6.62 | 0 | 6 | 0 | 91 | 427.187 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457-1-O | Leishmania Amazonensis (cluster #1 Of 3), Other | Other | 3400 | 0.29 | Functional ≤ 10μM |
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 560 | 0.34 | Functional ≤ 10μM |
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 7), Other | Other | 5300 | 0.28 | Functional ≤ 10μM |
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 3), Other | Other | 9700 | 0.27 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457 | Z50457 | Leishmania Amazonensis | 3400 | 0.29 | Functional ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 500 | 0.34 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 5300 | 0.28 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 9700 | 0.27 | ADME/T ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.