| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 28 | No |
Popular Name: 2-Nitro-4-trifluoromethylphenyl disulfide 2-Nitro-4-trifluoromethylphenyl …
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CAS Numbers: 860-39-9 , [860-39-9]
2-Nitro-1-{[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl}-4-(trifluoromethyl)benzene
2-Nitro-4-trifluoromethylphenyldisulfide
4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyl disulfide
4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyldisulfide
4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyldisulphide 97%
| 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) | 5.97 | 5.85 | -9.08 | 0 | 6 | 0 | 91 | 444.334 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 158-161° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 13 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 13.1 | 0.39 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.